SCHEMBL124046

SCHEMBL124046

COc1ccc2cccc(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.47
MTNR1B P49286 5/20 0.47
HTR2A P28223 2/20 0.44
TRPV1 Q8NER1 2/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
NQO2 P16083 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 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
SCHEMBL6552887 0.92 MTNR1A (0.42) MTNR1AMTNR1BHTR2ATRPV1HTR2C
SCHEMBL8016986 0.91 HTR1A (0.42) MTNR1AMTNR1BHTR2C
SCHEMBL6099019 0.90 ALDH1A1 (0.44) MTNR1AMTNR1BHTR2A
SCHEMBL1180547 0.89 MTNR1A (0.44) MTNR1AMTNR1BCYP1A2CYP2A6
SCHEMBL1304599 0.86 MTNR1A (0.41) MTNR1AMTNR1BHTR2C
SCHEMBL19616461 0.83 CYP1A2 (0.45) CYP1A2CYP2A6
SCHEMBL8499741 0.83 KDM4E (0.49)
SCHEMBL31505094 0.83 CYP1A2 (0.45) CYP1A2CYP2A6
SCHEMBL30344940 0.82 DRD2 (0.36) CYP1A2CYP2A6
SCHEMBL5369468 0.82 DRD2 (0.36) CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 CN disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
CN-109843856-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2023-05-02 CN disclosed
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 EP disclosed
US-11267812-B2 KRAS G12C inhibitors Mirati Therapeutics, Inc. (US) 2022-03-08 US disclosed
EP-3458445-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2021-02-17 EP disclosed
EP-3710439-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-09-23 EP disclosed
US-20200262837-A1 KRAS G12C INHIBITORS ARRAY BIOPHARMA INC. 2020-08-20 US disclosed
US-7834036-B2 Fused-aromatic compounds having anti-diabetic activity MERCK SHARP & DOHME CORP (US) 2010-11-16 US disclosed
US-7834036-B2 Fused-aromatic compounds having anti-diabetic activity MERCK SHARP & DOHME CORP (US) 2010-11-16 US disclosed
WO-2010015745-A1 NOVEL METHOD FOR THE SYNTHESIS OF AGOMELATINE LES LABORATOIRES SERVIER (FR) 2010-02-11 WO disclosed
US-20100036162-A1 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2010-02-11 US disclosed
US-20080194586-A1 Fused-Aromatic Compounds Having Anti-Diabetic Activity MERCK SHARP & DOHME LLC 2008-08-14 US disclosed
US-20080194586-A1 Fused-Aromatic Compounds Having Anti-Diabetic Activity MERCK SHARP & DOHME LLC 2008-08-14 US disclosed
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SINGNAL PHARMACEUTICALS, INC. 2005-05-19 US disclosed
US-20050009903-A1 CB2-selective cannabinoid analogues CLEMSON UNIVERSITY 2005-01-13 US disclosed
EP-1409476-A1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2003006455-A1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY ELI LILLY AND COMPANY (US) 2003-01-23 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 (8 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-20200262837-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS MTNR1A 3560/4885MTNR1B 2255/4885HTR2A 4846/4885
US-11267812-B2 KRAS G12C inhibitors KRAS, NRAS, HRAS MTNR1A 3560/4885MTNR1B 2255/4885HTR2A 4846/4885
US-20050009903-A1 CB2-selective cannabinoid analogues CNR2, CNR1, GPR68 MTNR1A 25/4885MTNR1B 30/4885HTR2A 22/4885
US-20080194586-A1 Fused-Aromatic Compounds Having Anti-Diabetic Activity PPARG, PPARA, FABP4 MTNR1A 1151/4885MTNR1B 749/4885HTR2A 980/4885
US-20100036162-A1 Process for the synthesis of agomelatine COMT, PNMT, TPH1 MTNR1A 331/4885MTNR1B 293/4885HTR2A 49/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS MTNR1A 3560/4885MTNR1B 2255/4885HTR2A 4846/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MTNR1A 1634/4885MTNR1B 1562/4885HTR2A 3119/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS MTNR1A 3560/4885MTNR1B 2255/4885HTR2A 4846/4885

“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.