SCHEMBL20501797

SCHEMBL20501797

Cc1ccc(S(=O)(=O)OCC2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 1/20 0.61
CYP2C9 P11712 1/20 0.61
TAS2R14 Q9NYV8 5/20 0.55
TSHR P16473 1/20 0.45
STAT3 P40763 1/20 0.44
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
ENPP2 Q13822 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.41
VCP P55072 1/20 0.41
LMNA P02545 1/20 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
SCHEMBL23387619 0.89 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CYP2C9TAS2R14
SCHEMBL23387620 0.89 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CYP2C9TAS2R14
SCHEMBL29180240 0.88 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1CYP2C9TAS2R14
SCHEMBL26655167 0.88 CYP2D6 (0.45) ALDH1A1KMT2AMEN1CYP2C9TSHR
SCHEMBL7166740 0.88 CYP2D6 (0.45) ALDH1A1KMT2AMEN1CYP2C9TSHR
SCHEMBL26655196 0.88 CYP2D6 (0.45) ALDH1A1KMT2AMEN1CYP2C9TSHR
SCHEMBL7032005 0.88 CYP2D6 (0.45) ALDH1A1KMT2AMEN1CYP2C9TSHR
SCHEMBL8907892 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1CYP2C9TAS2R14
SCHEMBL8899789 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1CYP2C9TAS2R14
SCHEMBL17815986 0.87 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1CYP2C9TAS2R14

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024078581-A1 SELECTIVE BCL-XL PROTAC COMPOUNDS AND USES THEREOF APPICINE THERAPEUTICS (HK) LIMITED (CN) 2024-04-18 WO disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-11236071-B1 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-02-01 US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed
EP-3609888-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2020-02-19 EP disclosed
WO-2018170182-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2018-09-20 WO 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 (3 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-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL ALDH1A1 1615/4885KMT2A 3153/4885MEN1 4390/4885
US-11236071-B1 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 ALDH1A1 2205/4885KMT2A 4719/4885MEN1 2725/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 ALDH1A1 1584/4885KMT2A 3232/4885MEN1 3150/4885

“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.