SCHEMBL2117196

SCHEMBL2117196

COC(=O)C1(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 2/20 0.41
AR P10275 4/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
CES2 O00748 1/20 0.40
ABCB11 O95342 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
TBXA2R P21731 1/20 0.40
AADAC P22760 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL20601440 0.83 ALDH1A1 (0.43) MAPTLMNAHTTALDH1A1MAPK1
SCHEMBL1464772 0.82 CA12 (0.44) MAPTLMNAHTTALDH1A1ALOX15
SCHEMBL31430569 0.82 CA12 (0.44) MAPTLMNAHTTALDH1A1ALOX15
SCHEMBL15456848 0.81 ATM (0.44) TDP1CYP3A4LMNACYP1A2CYP2C9
SCHEMBL1465342 0.81 LMNA (0.50) TDP1MAPTCYP3A4LMNAALDH1A1
SCHEMBL4859733 0.81 LMNA (0.46) TDP1MAPTCYP3A4LMNAHTT
SCHEMBL14008570 0.81 ATM (0.44) TDP1CYP3A4LMNACYP1A2CYP2C9
SCHEMBL31759483 0.80 NOTUM (0.41) LMNAHTTNOTUMKCNN4
SCHEMBL2119103 0.79 NOTUM (0.40) LMNAHTTKIF11NOTUMKCNN4
SCHEMBL5673703 0.78 LMNA (0.49) TDP1MAPTCYP3A4LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177513-B1 PHENYLACETIC ACID COMPOUND ONO PHARMACEUTICAL CO (JP) 2015-07-01 EP disclosed
US-20140357630-A1 Phenylacetic Acid Compound ONO PHARMACEUTICAL CO., LTD. (JP) 2014-12-04 US disclosed
US-8809524-B2 Phenylacetic acid compound ONO PHARMACEUTICAL CO., LTD. (JP) 2014-08-19 US disclosed
US-20130225808-A1 PHENYLACETIC ACID COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-29 US disclosed
US-8476266-B2 Phenylacetic acid compound ONO PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-20130028887-A1 PHENYLACETIC ACID COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2013-01-31 US disclosed
US-8318729-B2 Phenylacetic acid compound ONO PHARMACEUTICAL CO., LTD. (JP) 2012-11-27 US disclosed
US-20120094990-A1 PHENYLACETIC ACID COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-19 US disclosed
EP-2177513-A1 PHENYLACETIC ACID COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2010-04-21 EP 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 (4 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-20130225808-A1 PHENYLACETIC ACID COMPOUND PC, PAH, PDHA2 TDP1 3508/4885MAPT 2150/4885AR 272/4885
US-20120094990-A1 PHENYLACETIC ACID COMPOUND PC, PAH, PDHA2 TDP1 3508/4885MAPT 2150/4885AR 272/4885
US-20130028887-A1 PHENYLACETIC ACID COMPOUND PC, PAH, PDHA2 TDP1 3508/4885MAPT 2150/4885AR 272/4885
US-20140357630-A1 Phenylacetic Acid Compound PC, PAH, PDHA2 TDP1 3508/4885MAPT 2150/4885AR 272/4885

“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.