SCHEMBL3233151

SCHEMBL3233151

CC(C)(C)NC(=O)c1ccc(Br)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.54
GAA P10253 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ESR1 P03372 1/20 0.53
DAO P14920 1/20 0.52
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
AR P10275 1/20 0.50
POLB P06746 1/20 0.49
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GSK3B P49841 2/20 0.47

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
SCHEMBL19508649 0.86 ALDH1A1 (0.46) GAARXFP1KDM4EKMT2AMEN1
SCHEMBL3423151 0.84 AR (0.53) NPSR1GAARXFP1CES2CES1
SCHEMBL29032337 0.82 AR (0.51) NPSR1GAARXFP1CES2CES1
SCHEMBL4909498 0.82 GAA (0.47) NPSR1GAARXFP1CES2CES1
SCHEMBL12124279 0.79 KMT2A (0.54) NPSR1GAAKDM4EDAOKMT2A
SCHEMBL21124416 0.79 KDM4E (0.50) GAARXFP1KDM4EKMT2AMEN1
SCHEMBL3427641 0.79 AR (0.49) NPSR1GAARXFP1CES2CES1
SCHEMBL3848242 0.79 GAA (0.59) NPSR1GAARXFP1CES2CES1
SCHEMBL3241403 0.78 AR (0.52) NPSR1KDM4EDAOKMT2AMEN1
SCHEMBL24414750 0.76 AR (0.67) NPSR1GAARXFP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014157382-A1 SPHINGOSINE KINASE INHIBITOR 味の素株式会社 (JP) 2014-10-02 WO disclosed
US-8247409-B2 Thieno-[2,3-d]pyrimidine and thieno-pyridazine compounds and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-7745449-B2 Thieno-[2,3-d]pyrimidine and thieno-pyridazine compounds and methods of use AMGEN INC. (US) 2010-06-29 US disclosed
US-20100125074-A1 Thieno-[2,3-d]Pyrimidine and Thieno-Pyridazine Compounds and Methods of Use AMGEN INC. (US) 2010-05-20 US disclosed
US-20080032988-A1 Thieno-[2,3-d]pyrimidine and thieno-pyridazine compounds and methods of use AMGEN INC. (US) 2008-02-07 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 (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-20080032988-A1 Thieno-[2,3-d]pyrimidine and thieno-pyridazine compounds and methods of use CDK2, TBXA2R, TBXAS1 NPSR1 2469/4885GAA 4454/4885RXFP1 2639/4885
US-20100125074-A1 Thieno-[2,3-d]Pyrimidine and Thieno-Pyridazine Compounds and Methods of Use CDK2, TBXA2R, TBXAS1 NPSR1 2469/4885GAA 4454/4885RXFP1 2639/4885

“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.