SCHEMBL4877382

SCHEMBL4877382

CS(=O)(=O)OC1CCC(Nc2ccc(C#N)c3ccccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.42
SLC22A12 Q96S37 3/20 0.39
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
AR P10275 7/20 0.36
IDO1 P14902 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
IDH1 O75874 1/20 0.34
NSD2 O96028 1/20 0.34

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
SCHEMBL4877370 1.00 PGR (0.42) PGRSLC22A12IMPDH2IMPDH1AR
SCHEMBL4878791 0.79 AR (0.50) ARIDO1
SCHEMBL4878796 0.79 AR (0.50) ARIDO1
SCHEMBL22875049 0.72 CCR6 (0.46)
SCHEMBL10781954 0.68 IDO1 (0.52) SLC22A12IMPDH2IMPDH1ARIDO1
SCHEMBL3592333 0.68 AR (0.62) AR
SCHEMBL20140157 0.67 GRM5 (0.41)
SCHEMBL16039783 0.66 KDM4E (0.50)
SCHEMBL16039781 0.66 KDM4E (0.50)
SCHEMBL24074639 0.65 KMT2A (0.47)

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-20060014739-A1 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. 2006-01-19 US claimed
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIAN PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-7268232-B2 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. (US) 2007-09-11 US disclosed
EP-1756101-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME Acadia Pharmaceuticals Inc. (US) 2007-02-28 EP disclosed
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same ACADIA PHARMACEUTICALS INC. 2007-01-04 US disclosed
US-20060014739-A1 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. 2006-01-19 US disclosed
WO-2005115361-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2005-12-08 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 (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-20060014739-A1 Androgen receptor modulators and method of treating disease using the same NR5A1, AR, CYP17A1 PGR 69/4885SLC22A12 530/4885IMPDH2 777/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA PGR 65/4885SLC22A12 525/4885IMPDH2 845/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 PGR 69/4885SLC22A12 530/4885IMPDH2 777/4885

“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.