SCHEMBL5521984

SCHEMBL5521984

CC(C)Oc1cc(C(F)(F)F)c2cc3c(cc2n1)SCCN3C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AR P10275 6/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5519182 0.86 MAPT (0.33) ARMAPT
SCHEMBL5513827 0.79 AR (0.31) AR
SCHEMBL5516299 0.73 AR (0.42) AR
SCHEMBL5519396 0.68 AR (0.35) AR
SCHEMBL5518776 0.68 AR (0.34) AR
SCHEMBL5514501 0.68 MAPT (0.33) ARMAPT
SCHEMBL3016748 0.68 AR (0.62) AR
SCHEMBL7257613 0.68 BACE1 (0.54) MAPTKMT2A
SCHEMBL1771768 0.67 BACE1 (0.40) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL473978 0.67 NT5E (0.44) RXFP1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167445-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2007-07-19 US disclosed
EP-1212330-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2006-04-19 EP disclosed
US-20030186970-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC, 2003-10-02 US disclosed
US-6462038-B1 SUCH AS 1,2,3,6-TETRAHYDRO-1-METHYL-9-(TRIFLUOROMETHYL)-7H-(1,4)OXAZINO(3,2 -G)QUINOLIN-7-ONE; NONSTEROIDAL, HIGH AFFINITY AND SPECIFICITY ANTAGONISTS AND AGONISTS OR PARTIAL AGONISTS, I.E. PARTIAL AND/OR TISSUE SPECIFIC ACTIVATORS LIGAND PHARMACEUTICALS, INC. 2002-10-08 US disclosed
WO-2001016139-A9 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2002-09-19 WO disclosed
EP-1212330-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP disclosed
WO-2001016139-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 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 (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-20030186970-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR RXFP1 367/4885KDM4E 2115/4885ALDH1A1 1492/4885
US-20070167445-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR RXFP1 367/4885KDM4E 2115/4885ALDH1A1 1492/4885

“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.