SCHEMBL4152904

SCHEMBL4152904

Cc1c(-c2nccs2)n(C[C@H](O)C(F)(F)F)c2ccc3[nH]c(=O)cc(Cl)c3c12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.33
AVPR2 P30518 10/20 0.33
AVPR1A P37288 10/20 0.33
CNR1 P21554 5/20 0.32
PDPK1 O15530 1/20 0.31

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
SCHEMBL4152907 1.00 AR (0.48) ARPTGDR2AVPR2AVPR1ACNR1
SCHEMBL4138561 0.87 AR (0.62) ARPTGDR2CNR1PDPK1
SCHEMBL4138552 0.85 AR (0.52) ARPTGDR2CNR1PDPK1
SCHEMBL4148811 0.85 AR (0.50) ARAVPR2AVPR1ACNR1PDPK1
SCHEMBL4134415 0.85 AR (0.50) ARAVPR2AVPR1ACNR1PDPK1
SCHEMBL4134411 0.85 AR (0.50) ARAVPR2AVPR1ACNR1PDPK1
SCHEMBL4138444 0.84 AR (0.49) ARAVPR2AVPR1A
SCHEMBL4138439 0.84 AR (0.49) ARAVPR2AVPR1A
SCHEMBL4138811 0.84 AR (0.51) ARAVPR2AVPR1A
SCHEMBL4133996 0.84 AR (0.51) ARAVPR2AVPR1A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165362-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2012-06-28 US claimed
US-8193357-B2 Androgen receptor modulator compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US claimed
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-10-22 US claimed
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-01-29 US claimed
EP-1891067-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2016-01-13 EP disclosed
EP-1891067-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2016-01-13 EP disclosed
US-8580811-B2 Androgen receptor modulator methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
US-8580811-B2 Androgen receptor modulator methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
US-8580811-B2 Androgen receptor modulator methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
US-20120165362-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2012-06-28 US disclosed
US-20120165362-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2012-06-28 US disclosed
US-20120165362-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2012-06-28 US disclosed
US-8193357-B2 Androgen receptor modulator compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-8193357-B2 Androgen receptor modulator compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-10-22 US disclosed
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-10-22 US disclosed
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-10-22 US disclosed
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-01-29 US disclosed
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-01-29 US disclosed
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-01-29 US 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 (3 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-20090030027-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA AR 1/4885PTGDR2 176/4885AVPR2 462/4885
US-20120165362-A1 Androgen receptor modulator compounds and methods AR, NR5A1, ESRRA AR 1/4885PTGDR2 176/4885AVPR2 462/4885
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA AR 1/4885PTGDR2 176/4885AVPR2 462/4885

“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.