SCHEMBL793093

SCHEMBL793093

CC1Cc2ccc(C(F)(F)F)cc2C(=O)N1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
PARP1 P09874 1/20 0.54
PARP10 Q53GL7 1/20 0.54
HTR2A P28223 6/20 0.49
HTR2C P28335 6/20 0.49
HTR2B P41595 6/20 0.49
TDP2 O95551 2/20 0.47
PNMT P11086 4/20 0.40
AR P10275 2/20 0.40
PGR P06401 1/20 0.40
MKNK1 Q9BUB5 1/20 0.38
CDC7 O00311 1/20 0.38
XIAP P98170 1/20 0.37
BIRC2 Q13490 1/20 0.37

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
SCHEMBL14401750 0.77 AR (0.44) PARP1PARP10HTR2AHTR2CHTR2B
SCHEMBL12156816 0.77 AR (0.44) PARP1PARP10HTR2AHTR2CHTR2B
SCHEMBL21132327 0.76 ACHE (0.63) PARP1PARP10HTR2AHTR2CHTR2B
SCHEMBL21470711 0.76 TSHR (0.60) TSHRTDP2MKNK1CDC7
SCHEMBL30285537 0.76 TSHR (0.60) TSHRPARP1PARP10HTR2AHTR2C
SCHEMBL21333673 0.76 TSHR (0.60) TSHRPARP1PARP10HTR2AHTR2C
SCHEMBL31739118 0.73 PARP1 (0.43) PARP1PARP10HTR2AHTR2CHTR2B
SCHEMBL30681290 0.72 PARP10 (0.71) PARP1PARP10HTR2AHTR2CHTR2B
SCHEMBL12203700 0.72 TSHR (1.00) TSHRPARP1PARP10HTR2AHTR2C
SCHEMBL6448571 0.72 TSHR (1.00) TSHRPARP1PARP10HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
CN-103108871-B 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2014-09-10 CN disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 TSHR 3077/4885PARP1 2549/4885PARP10 940/4885

“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.