SCHEMBL642293

SCHEMBL642293

Cc1ccc(Oc2ccncc2NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
GPR119 Q8TDV5 6/20 0.48
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
STS P08842 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
KMT2A Q03164 1/20 0.44
P2RX3 P56373 1/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL641305 0.88 STS (0.52) PTPN2PTPN1PTPN6GPR119GSK3A
SCHEMBL22788738 0.79 PTPN2 (0.58) PTPN2PTPN1PTPN6GPR119STS
SCHEMBL6768558 0.76 PTPN2 (0.57) PTPN2PTPN1PTPN6GPR119STS
SCHEMBL6768553 0.75 PTPN2 (0.56) PTPN2PTPN1PTPN6GPR119STS
SCHEMBL13188215 0.75 PTPN2 (0.67) PTPN2PTPN1PTPN6GPR119STS
SCHEMBL23311785 0.74 GPR119 (0.57) GPR119
SCHEMBL27023071 0.74 GPR119 (0.61) PTPN2PTPN1PTPN6GPR119STS
SCHEMBL27511463 0.74 PTPN2 (0.77) PTPN2PTPN1PTPN6GPR119STS
SCHEMBL641226 0.74 STS (0.56) PTPN2PTPN1PTPN6STSNPC1
SCHEMBL28932938 0.73 KMT2A (0.58) PTPN2PTPN1PTPN6GPR119NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
EP-1960347-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS Sterix Limited (GB) 2008-08-27 EP disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO 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 (1 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 PTPN2 2243/4885PTPN1 2512/4885PTPN6 1981/4885

“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.