SCHEMBL640990

SCHEMBL640990

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STS P08842 7/20 0.52
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
MGLL Q99685 1/20 0.46
KMT2A Q03164 1/20 0.46
MALT1 Q9UDY8 1/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
MAPK8 P45983 1/20 0.44

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
SCHEMBL640994 0.88 ACHE (0.51) ACHEBACE1MGLLKMT2AMALT1
SCHEMBL640961 0.87 CNR1 (0.49) STSNPC1RAB9AKMT2AMAPT
SCHEMBL641226 0.87 STS (0.56) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL5073382 0.87 GAA (0.52) ACHEBACE1MGLLKMT2AMALT1
SCHEMBL641308 0.86 STS (0.55) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL9965439 0.85 KMT2A (0.53) ACHEBACE1MGLLKMT2AMALT1
SCHEMBL642341 0.84 ACHE (0.66) PTPN2PTPN1ACHEBACE1MGLL
SCHEMBL9965441 0.84 SMN1; SMN2 (0.48) PTPN1ACHEBACE1MGLLKMT2A
SCHEMBL9965398 0.83 SMN1; SMN2 (0.50) PTPN1ACHEBACE1MGLLKMT2A
SCHEMBL9965382 0.83 PTPN1 (0.51) PTPN1ACHEBACE1MGLLKMT2A

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 789/4885PTPN2 2243/4885PTPN1 2512/4885

“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.