SCHEMBL642298

SCHEMBL642298

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
PKM P14618 1/20 0.54
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
KMT2A Q03164 2/20 0.51
STS P08842 4/20 0.50
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
MAPT P10636 1/20 0.48
EPHX2 P34913 1/20 0.48
GPR119 Q8TDV5 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
ALDH1A1 P00352 1/20 0.46
P2RY14 Q15391 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL641560 0.90 GAA (0.54) GAAPKMPTPN2PTPN1PTPN6
SCHEMBL9965416 0.89 GAA (0.57) GAAPKMKMT2AACHEBACE1
SCHEMBL14639655 0.89 GAA (0.52) GAAPKMKMT2AACHEBACE1
SCHEMBL641226 0.88 STS (0.56) GAAPKMPTPN2PTPN1PTPN6
SCHEMBL9965372 0.87 GAA (0.55) GAAPKMKMT2AACHEBACE1
SCHEMBL9965380 0.85 GAA (0.55) GAAPKMPTPN1KMT2AACHE
SCHEMBL9965370 0.85 ACHE (0.66) GAAPKMPTPN2PTPN1KMT2A
SCHEMBL9965384 0.84 GAA (0.54) GAAPKMPTPN1KMT2AACHE
SCHEMBL9965373 0.84 EPHX2 (0.52) GAAPKMPTPN1KMT2AACHE
SCHEMBL641308 0.83 STS (0.55) GAAPKMPTPN2PTPN1PTPN6

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 GAA 4841/4885PKM 3744/4885PTPN2 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.