SCHEMBL641305

SCHEMBL641305

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cnccc2Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 7/20 0.52
P2RX3 P56373 1/20 0.51
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
GPR119 Q8TDV5 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NR3C1 P04150 1/20 0.43
FAAH O00519 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
SCHEMBL642293 0.88 PTPN2 (0.49) STSP2RX3PTPN2PTPN1PTPN6
SCHEMBL641226 0.86 STS (0.56) STSP2RX3PTPN2PTPN1PTPN6
SCHEMBL22788738 0.80 PTPN2 (0.58) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL6773664 0.79 F10 (0.57) STSP2RX3PTPN2PTPN1PTPN6
SCHEMBL641308 0.78 STS (0.55) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL8283575 0.77 PTPN2 (0.81) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL6768558 0.77 PTPN2 (0.57) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL6768553 0.76 PTPN2 (0.56) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL642484 0.75 ALDH1A1 (0.55) STSNPC1RAB9AGPR119KMT2A
SCHEMBL641560 0.75 GAA (0.54) STSPTPN2PTPN1PTPN6NPC1

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 STS 789/4885P2RX3 1545/4885PTPN2 2243/4885

“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.