SCHEMBL3077415

SCHEMBL3077415

Cn1cc(O)c2cc(O)c(O)cc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.37
GPR35 Q9HC97 1/20 0.34
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL23672305 0.76 MTNR1B (0.47)
SCHEMBL15680239 0.76 TP53 (0.40) SRCGPR35ALDH1A1
SCHEMBL12344901 0.76 ALDH1A1 (0.56) SRCGPR35ALDH1A1
SCHEMBL19426037 0.73 SRC (0.44) SRCHTR2AHTR2CHTR2BALDH1A1
SCHEMBL3882600 0.72 SRC (0.45) SRCGPR35PRKACAPRKACGPRKACB
SCHEMBL9321255 0.72 LMNA (0.51) SRCGPR35ALDH1A1
SCHEMBL17191916 0.72 SCN9A (0.37) SRCGPR35PRKACAPRKACGPRKACB
SCHEMBL19426082 0.72 SRC (0.36) SRCGPR35HTR2B
SCHEMBL646254 0.70 GPR84 (0.55) HTR2AALDH1A1
SCHEMBL15992161 0.69 KDM4E (0.46) SRCGPR35PRKACAPRKACGPRKACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140162986-A1 Methods for treatment of thiol-containing compound deficient conditions NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2014-06-12 US disclosed
US-7790762-B2 Compounds and methods for thiol-containing compound efflux and cancer treatment NATIONAL JEWISH HEALTH (US) 2010-09-07 US disclosed
EP-2217259-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS National Jewish Health (US) 2010-08-18 EP disclosed
EP-1562563-B1 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NAT JEWISH HEALTH (US) 2010-03-03 EP disclosed
WO-2009052411-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2009-04-23 WO disclosed
US-7498047-B2 Methods for treatment of thiol-containing compound deficient conditions NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2009-03-03 US disclosed
US-20080221029-A1 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-09-11 US disclosed
US-20060135585-A1 Compounds and methods for thiol-containing compound efflux and cancer treatment NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2006-06-22 US disclosed
US-20060058245-A1 Identifying a subject at risk of developing Beryllium Disease; contacting cells with an agent to increase transport of thiol-containing compound; modulating secretion of thiol-containing compound(s); attenuating the disease NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2006-03-16 US disclosed
EP-1562563-A4 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NAT JEWISH MED & RES CENTER (US) 2005-12-28 EP disclosed
EP-1562563-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS National Jewish Medical and Research Center (US) 2005-08-17 EP disclosed
WO-2004042020-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2004-05-21 WO disclosed
US-20040087527-A1 Cystic fibrosis therapy; ATP-binding cassette transport modulation; glutathione concentration in epithelial lining fluid of lower respiratory tract NATIONAL JEWISH MEDICAL AND RESEARCH CENTER 2004-05-06 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-20060135585-A1 Compounds and methods for thiol-containing compound efflux and cancer treatment ABCC1, ABCC2, ABCB1 SRC 3208/4885GPR35 1817/4885PRKACA 3682/4885
US-20040087527-A1 Cystic fibrosis therapy; ATP-binding cassette transport modulation; glutathione concentration in epithelial lining fluid of lower respiratory tract ABCC1, CFTR, ABCC2 SRC 3927/4885GPR35 1553/4885PRKACA 2625/4885
US-20080221029-A1 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS ABCC1, SLC47A2, SLC47A1 SRC 3000/4885GPR35 2209/4885PRKACA 1457/4885
US-20060058245-A1 Identifying a subject at risk of developing Beryllium Disease; contacting cells with an agent to increase transport of thiol-containing compound; modulating secretion of thiol-containing compound(s); attenuating the disease ABCC2, CFTR, ABCC1 SRC 4599/4885GPR35 722/4885PRKACA 1984/4885
US-20140162986-A1 Methods for treatment of thiol-containing compound deficient conditions ABCC1, CFTR, SLC47A1 SRC 4464/4885GPR35 2988/4885PRKACA 2407/4885

“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.