SCHEMBL2498836

SCHEMBL2498836

O=C(O)C=CCCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
GABRR1 P24046 2/20 0.42
GABRR2 P28476 2/20 0.42
BLM P54132 2/20 0.42
GABRR3 A8MPY1 1/20 0.42
LMNA P02545 1/20 0.42
APEX1 P27695 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
OXER1 Q8TDS5 1/20 0.35
TBXAS1 P24557 5/20 0.33
PTPN1 P18031 1/20 0.31
PPARA Q07869 1/20 0.31
ALOX5 P09917 1/20 0.30

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
SCHEMBL2498834 1.00 TSHR (0.42) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL20625020 0.85 OXER1 (0.49) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL25332670 0.82 TSHR (0.39) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL9291572 0.76 TSHR (0.42) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL11133926 0.76 TSHR (0.42) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL273087 0.76 TSHR (0.58) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL9726354 0.76 TSHR (0.58) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL6036625 0.76 THRB (0.38) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL6036567 0.76 THRB (0.38) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL14801551 0.75 TSHR (0.46) TSHRGABRR1GABRR2BLMGABRR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142503-A2 PROCESS FOR THE MANUFACTURE FOR NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF Intendis GmbH (DE) 2010-01-13 EP claimed
WO-2008128750-A2 PROCESS FOR THE MANUFACTURE FOR NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF INTENDIS GMBH (DE) 2008-10-30 WO claimed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-11534434-B2 Xanomeline derivatives and methods for treating neurological disorders Karuna Therapeutics, Inc. (US) 2022-12-27 US disclosed
US-20210145810-A1 XANOMELINE DERIVATIVES AND METHODS FOR TREATING NEUROLOGICAL DISORDERS Karuna Therapeutics, Inc. 2021-05-20 US disclosed
WO-2021097427-A1 XANOMELINE DERIVATIVES AND METHODS FOR TREATING NEUROLOGICAL DISORDERS Karuna Therapeutics, Inc. (US) 2021-05-20 WO 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-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
WO-2016161279-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
WO-2016161269-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
WO-2016161286-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
EP-2205548-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS Amgen, Inc (US) 2010-07-14 EP disclosed
EP-2142503-A2 PROCESS FOR THE MANUFACTURE FOR NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF Intendis GmbH (DE) 2010-01-13 EP disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 WO disclosed
WO-2008128750-A2 PROCESS FOR THE MANUFACTURE FOR NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF INTENDIS GMBH (DE) 2008-10-30 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 (9 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 TSHR 4369/4885GABRR1 3576/4885GABRR2 3636/4885
US-20090137561-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 TSHR 740/4885GABRR1 735/4885GABRR2 722/4885
US-11534434-B2 Xanomeline derivatives and methods for treating neurological disorders CHRM1, RXFP3, NPY5R TSHR 164/4885GABRR1 405/4885GABRR2 497/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT TSHR 3618/4885GABRR1 2619/4885GABRR2 2631/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT TSHR 3618/4885GABRR1 2619/4885GABRR2 2631/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT TSHR 3618/4885GABRR1 2619/4885GABRR2 2631/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 TSHR 4640/4885GABRR1 3224/4885GABRR2 3623/4885
US-20210145810-A1 XANOMELINE DERIVATIVES AND METHODS FOR TREATING NEUROLOGICAL DISORDERS CHRM1, RXFP3, NPY5R TSHR 164/4885GABRR1 405/4885GABRR2 497/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT TSHR 3618/4885GABRR1 2619/4885GABRR2 2631/4885

“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.