SCHEMBL315503

SCHEMBL315503

CSC(=S)OCc1nnc(C2CCN(C(=O)O)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.39
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GRM5 P41594 1/20 0.35
OXTR P30559 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
KCNH2 Q12809 2/20 0.33
CCR1 P32246 1/20 0.33
TSHR P16473 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
SCHEMBL10189923 0.88 LMNA (0.49) ALDH1A1MEN1KMT2ANPSR1HSD17B10
SCHEMBL315796 0.85 OXTR (0.45) AVPR1AALDH1A1MEN1KMT2ANPSR1
SCHEMBL314703 0.81 AVPR1A (0.43) AVPR1AALDH1A1MEN1KMT2ANPSR1
SCHEMBL27648988 0.75 AVPR1A (0.43) AVPR1AMEN1KMT2ANPSR1HSD17B10
SCHEMBL8255797 0.73 MEN1 (0.52) ALDH1A1MEN1KMT2ANPSR1HSD17B10
SCHEMBL315122 0.73 TSHR (0.42) AVPR1AALDH1A1KMT2ANPSR1HSD17B10
SCHEMBL8285418 0.71 MEN1 (0.53) ALDH1A1MEN1KMT2ANPSR1HSD17B10
SCHEMBL10189996 0.69 MAPK11 (0.44) AVPR1AALDH1A1MEN1KMT2ANPSR1
SCHEMBL315881 0.67 MEN1 (0.52) ALDH1A1MEN1KMT2ANPSR1HSD17B10
SCHEMBL314967 0.67 AKR1C3 (0.45) AVPR1AMEN1KMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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 (2 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 AVPR1A 533/4885ALDH1A1 2650/4885MEN1 2639/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885ALDH1A1 2031/4885MEN1 1081/4885

“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.