SCHEMBL2854813

SCHEMBL2854813

CCC#CCCS(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
PDE4A P27815 1/20 0.36
LMNA P02545 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
APP P05067 1/20 0.33

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
SCHEMBL19453195 0.87 PTGS1 (0.45) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL9556436 0.82 PTPN7 (0.38) BLMAPP
SCHEMBL576169 0.77
SCHEMBL28628438 0.77 PTGS1 (0.38) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL20515328 0.76 PTGS1 (0.41) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL6724605 0.74
SCHEMBL28534749 0.73 RECQL (0.56) BLM
SCHEMBL18222457 0.71 PTGS1 (0.33) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL28944875 0.71 PTGS1 (0.33) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL2440493 0.70 APP (0.50) PTGS1PDE4ALMNASLC6A6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210678-A1 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2010-08-19 US disclosed
US-7727980-B2 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-06-01 US disclosed
US-20070293528-A9 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-20060128740-A1 Tricyclic androgen receptor modulator compounds and methods ZHI LIN 2006-06-15 US disclosed
US-7026484-B2 For therapy of cancer LIGAND PHARMACEUTICALS INCORPORATED (US) 2006-04-11 US disclosed
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 US disclosed
EP-1363909-A2 TRICYCLIC ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2003-11-26 EP disclosed
US-20020183346-A1 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2002-12-05 US disclosed
WO-2002066475-A2 TRICYCLIC ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-08-29 WO disclosed
US-5753642-A AGRICULTURE, MEDICINE ROHM AND HAAS COMPANY (US) 1998-05-19 US disclosed
US-5728698-A AGRICULTURAL USE, RICE, WHEAT ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5728694-A Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5728715-A FOR MAMMALS, AGRICULTURE, RICE, WHEAT, TOMATOES ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5726176-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5726162-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5631254-A RICE; HUMAN INFECTIONS ROHM AND HAAS COMPANY (US) 1997-05-20 US disclosed
US-5552409-A PHYTOPATHOGENIC, RICE ROHM AND HAAS COMPANY (US) 1996-09-03 US disclosed
EP-0478195-A1 Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1992-04-01 EP disclosed
US-5022983-A Process for cleaning of coal and separation of mineral matter and pyrite therefrom, and composition useful in the process SOUTHERN ILLINOIS UNIVERSITY FOUNDATION (US) 1991-06-11 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 (5 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-20020183346-A1 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA PTGS1 657/4885PDE4A 857/4885LMNA 3765/4885
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 PTGS1 995/4885PDE4A 4649/4885LMNA 3553/4885
US-20070293528-A9 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA PTGS1 657/4885PDE4A 857/4885LMNA 3765/4885
US-20100210678-A1 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA PTGS1 566/4885PDE4A 730/4885LMNA 3419/4885
US-20060128740-A1 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA PTGS1 657/4885PDE4A 857/4885LMNA 3765/4885

“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.