SCHEMBL10180779

SCHEMBL10180779

CCS(=O)(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
PSIP1 O75475 2/20 0.54
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
CNR2 P34972 5/20 0.41
TYR P14679 1/20 0.41
CNR1 P21554 3/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24721122 0.86 GAA (0.46) GAAPSIP1ALDH1A1MAPTKDM4E
SCHEMBL16232116 0.83 GAA (0.55) GAAPSIP1ALDH1A1MAPTKDM4E
SCHEMBL30026174 0.83 PSIP1 (0.50) GAAPSIP1ALDH1A1MAPTKDM4E
SCHEMBL18440551 0.83 GAA (0.55) GAAPSIP1ALDH1A1MAPTKDM4E
SCHEMBL10179790 0.83 PSIP1 (0.50) GAAPSIP1ALDH1A1MAPTKDM4E
SCHEMBL11951567 0.83 GAA (0.46) GAAALDH1A1MAPTKDM4ELMNA
SCHEMBL27723183 0.83 ALDH1A1 (0.46) GAAALDH1A1MAPTKDM4ELMNA
SCHEMBL16342270 0.83 GAA (0.46) GAAALDH1A1MAPTKDM4ELMNA
SCHEMBL10455034 0.83 PSIP1 (0.74) GAAPSIP1ALDH1A1LMNAMEN1
SCHEMBL30474514 0.81 GAA (0.48) GAAPSIP1ALDH1A1MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-04-27 US disclosed
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-04-27 US disclosed
US-11591331-B2 PARP1 inhibitors and uses thereof XINTHERA, INC. (US) 2023-02-28 US disclosed
WO-2020261294-A1 NOVEL APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS MANKIND PHARMA LTD. (IN) 2020-12-30 WO disclosed
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-20 US disclosed
US-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 US disclosed
US-20130296364-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-07 US disclosed
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
WO-2013001297-A1 BINDING INHIBITORS OF THE BETA.TRANSDUCIN REPEAT - CONTAINING PROTEIN ITI SCOTLAND LIMITED (GB) 2013-01-03 WO disclosed
US-8324207-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-04 US disclosed
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-08-02 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10167254-B2 IDO inhibitors IDO1, IDO2, INMT GAA 337/4885PSIP1 4170/4885ALDH1A1 707/4885
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 GAA 3859/4885PSIP1 2061/4885ALDH1A1 2583/4885
US-20130296364-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS CFTR, ABCB1, ABCC2 GAA 387/4885PSIP1 3548/4885ALDH1A1 1985/4885
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 GAA 1804/4885PSIP1 1466/4885ALDH1A1 1913/4885
US-20110039827-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 GAA 57/4885PSIP1 3129/4885ALDH1A1 1505/4885
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ1, KCNC1 GAA 2794/4885PSIP1 2916/4885ALDH1A1 1764/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT GAA 480/4885PSIP1 4496/4885ALDH1A1 263/4885
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ5, KCNJ1 GAA 2899/4885PSIP1 2496/4885ALDH1A1 1663/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 GAA 3859/4885PSIP1 2061/4885ALDH1A1 2583/4885
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS GAA 4184/4885PSIP1 3783/4885ALDH1A1 198/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT GAA 480/4885PSIP1 4496/4885ALDH1A1 263/4885
US-11591331-B2 PARP1 inhibitors and uses thereof PARP1, PARP11, PARP12 GAA 1804/4885PSIP1 1466/4885ALDH1A1 1913/4885
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ1, KCNC1 GAA 2794/4885PSIP1 2916/4885ALDH1A1 1764/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.