SCHEMBL1522436

SCHEMBL1522436

COC(=O)c1c(CO)csc1N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
PRKCZ Q05513 7/20 0.56
HPGD P15428 4/20 0.56
LMNA P02545 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 6/20 0.55
HSD17B10 Q99714 5/20 0.55
MAPK1 P28482 3/20 0.55
TSHR P16473 1/20 0.55
GAA P10253 2/20 0.52
RECQL P46063 1/20 0.52
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.43
PRKCI P41743 1/20 0.39
GRM6 O15303 1/20 0.38
GRM5 P41594 1/20 0.38
MPI P34949 1/20 0.38

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
SCHEMBL10711429 0.88 ALDH1A1 (0.55) ALDH1A1PRKCZHPGDLMNAMEN1
SCHEMBL14697944 0.82 ALDH1A1 (0.74) ALDH1A1PRKCZHPGDLMNAMEN1
SCHEMBL17209588 0.81 MAPT (0.54) ALDH1A1PRKCZHPGDLMNAMEN1
SCHEMBL3663956 0.79 ALDH1A1 (0.57) ALDH1A1PRKCZHPGDLMNAMEN1
SCHEMBL15743164 0.78 ALDH1A1 (0.41) ALDH1A1PRKCZHPGDLMNAMEN1
SCHEMBL1041240 0.77 ALDH1A1 (0.59) ALDH1A1PRKCZHPGDLMNAMEN1
SCHEMBL4116461 0.77 ALDH1A1 (0.57) ALDH1A1PRKCZHPGDLMNAMEN1
SCHEMBL3709557 0.77 PRKCZ (0.62) ALDH1A1PRKCZHPGDLMNAMEN1
SCHEMBL1523652 0.75 ALDH1A1 (0.43) ALDH1A1PRKCZHPGDLMNAMEN1
SCHEMBL23412772 0.75 ALDH1A1 (0.60) ALDH1A1PRKCZHPGDLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150307532-A1 THIENOPYRIMIDINE INHIBITORS OF FARNESYL AND/OR GERANYLGERANYL PYROPHOSPHATE SYNTHASE THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-10-29 US disclosed
US-20150307532-A1 THIENOPYRIMIDINE INHIBITORS OF FARNESYL AND/OR GERANYLGERANYL PYROPHOSPHATE SYNTHASE THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-10-29 US disclosed
EP-2922858-A1 THIENOPYRIMIDINE INHIBITORS OF FARNESYL AND/OR GERANYLGERANYL PYROPHOSPHATE SYNTHASE The Royal Institution for the Advancement of Learning / McGill University (CA) 2015-09-30 EP disclosed
WO-2014078957-A1 THIENOPYRIMIDINE INHIBITORS OF FARNESYL AND/OR GERANYLGERANYL PYROPHOSPHATE SYNTHASE THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2014-05-30 WO disclosed
WO-2014078957-A1 THIENOPYRIMIDINE INHIBITORS OF FARNESYL AND/OR GERANYLGERANYL PYROPHOSPHATE SYNTHASE THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2014-05-30 WO disclosed
EP-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 US disclosed
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
CN-100376572-C Anti-infective agents ABBOTT LAB (US) 2008-03-26 CN disclosed
CN-1735612-A Anti-infective agents ABBOTT LAB (US) 2006-02-15 CN disclosed
EP-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 EP disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 WO disclosed
US-20040097492-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-20 US disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 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 (6 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-20040097492-A1 Anti-infective agents POLR1C, RPL5, POLB ALDH1A1 1434/4885PRKCZ 2786/4885HPGD 1599/4885
US-20150307532-A1 THIENOPYRIMIDINE INHIBITORS OF FARNESYL AND/OR GERANYLGERANYL PYROPHOSPHATE SYNTHASE GGPS1, FDPS, FNTA ALDH1A1 2029/4885PRKCZ 2136/4885HPGD 150/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB ALDH1A1 1434/4885PRKCZ 2786/4885HPGD 1599/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 ALDH1A1 891/4885PRKCZ 3639/4885HPGD 1753/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT ALDH1A1 1592/4885PRKCZ 2853/4885HPGD 1364/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB ALDH1A1 1434/4885PRKCZ 2786/4885HPGD 1599/4885

“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.