SCHEMBL2963097

SCHEMBL2963097

OCc1ccc2sc3ccccc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.54
CYP1A2 P05177 1/20 0.47
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.42
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
CYP2A6 P11509 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39

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
SCHEMBL31081432 1.00 GPR3 (0.54) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL31083546 0.90 HSD17B10 (0.48) GPR3CYP1A2HSD17B10PTPN22CA2
SCHEMBL15315656 0.89 GPR3 (0.54) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL14607511 0.86 KDM4E (0.58) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL17037079 0.85 PTPN1 (0.40) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL18903328 0.85 GPR3 (0.50) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL19768707 0.82 GPR3 (0.56) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL11383271 0.82 GPR3 (0.47) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL8672690 0.81 GPR3 (0.54) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL12075019 0.81 GPR3 (0.54) GPR3CYP1A2MAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019199911-A1 PHOTOSWITCHABLE DIBENZOTHIENYLMETHYL TRIPHENYLPHOSPHONIUM DERIVATIVES AND METHODS OF TREATING CANCER THEREWITH SAINT LOUIS UNIVERSITY (US) 2019-10-17 WO disclosed
CN-102442993-A Compound having dibenzo group and its derivative, process for producing them and use thereof CHINESE ACAD INST CHEMISTRY 2012-05-09 CN disclosed
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-7476690-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2009-01-13 US disclosed
US-7476690-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2009-01-13 US disclosed
US-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-12-22 US disclosed
WO-2005100345-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2005-10-27 WO disclosed
US-6812243-B2 AS TYROSINE KINASE INHIBITORS; FOR THERARPY OF TUMORS, ARTERIOSCLEROSIS, RESTENOSIS AFTER BALLOON ANGIOPLASTY, ARTHRITIS AND FIBROTIC DISEASES ZENTARIS AG (DE) 2004-11-02 US disclosed
US-20030008898-A1 Indole derivatives and their use for the treatment of malignant and other diseases based on pathological proliferation ZENTARIS AG (DE) 2003-01-09 US disclosed
EP-1109785-B1 INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF MALIGNANT AND OTHER DISEASES CAUSED BY PATHOLOGICAL CELL PROLIFERATION ZENTARIS AG (DE) 2003-01-02 EP disclosed
US-6407102-B1 TYROSINE KINASE AND PLATELET-DERIVED GROWTH FACTOR INHIBITORS; ANTICARCINOGENIC, ANTITUMOR, ANTIARTHRITIC AND ANTIPROLIFERATIVE AGENTS; RESTENOSIS, ARTERIOSCLEROSIS ZENTARIS AG (DE) 2002-06-18 US disclosed
EP-1109785-A2 INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF MALIGNANT AND OTHER DISEASES CAUSED BY PATHOLOGICAL CELL PROLIFERATION ASTA Medica Aktiengesellschaft (DE) 2001-06-27 EP disclosed
WO-1999057117-A2 INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF MALIGNANT AND OTHER DISEASES CAUSED BY PATHOLOGICAL CELL PROLIFERATION ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1999-11-11 WO disclosed
US-4845263-A Layered photoresponsive imaging members with sulfur incorporated dicyanomethylenefluorene carboxylate compositions of matter XEROX CORPORATION (US) 1989-07-04 US disclosed
US-4546059-A Layered photoresponsive imaging members with sulfur incorporated dicyanomethylenefluorene carboxylate compositions XEROX CORPORATION (US) 1985-10-08 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 (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-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A GPR3 356/4885CYP1A2 484/4885MAPT 1232/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A GPR3 356/4885CYP1A2 484/4885MAPT 1232/4885
US-20030008898-A1 Indole derivatives and their use for the treatment of malignant and other diseases based on pathological proliferation MKI67, IDO1, CCNI GPR3 2677/4885CYP1A2 585/4885MAPT 1451/4885

“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.