SCHEMBL6597676

SCHEMBL6597676

CCC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.68
CYP3A4 P08684 2/20 0.68
CES2 O00748 1/20 0.68
ABCB11 O95342 1/20 0.68
ALDH1A1 P00352 1/20 0.68
LMNA P02545 1/20 0.68
CYP1A2 P05177 1/20 0.68
GLA P06280 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
CHRM1 P11229 1/20 0.68
CYP2C9 P11712 1/20 0.68
ALOX15 P16050 1/20 0.68
TSHR P16473 1/20 0.68
TBXA2R P21731 1/20 0.68
AADAC P22760 1/20 0.68
MAPK1 P28482 1/20 0.68
CYP2C19 P33261 1/20 0.68
ADRA1A P35348 1/20 0.68
HTT P42858 1/20 0.68
HTR6 P50406 1/20 0.68

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
SCHEMBL22809342 0.90 AR (0.69) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL15969825 0.90 AR (0.65) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL11510684 0.86 AR (0.71) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL28512437 0.85 AR (0.63) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL11306099 0.85 AR (0.63) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL11309839 0.85 AR (0.67) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL6815986 0.85 AR (0.73) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL962673 0.84 AR (0.62) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL11510610 0.83 AR (0.75) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL8410100 0.83 AR (0.75) ARCYP3A4CES2ABCB11ALDH1A1

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
EP-4125846-A1 PYRAZOLYLPROPANAMIDE COMPOUNDS AND USES THEREOF FOR TREATMENT OF PROSTATE CANCER University of Tennessee Research Foundation (US) 2023-02-08 EP disclosed
WO-2021202936-A1 PYRAZOLYLPROPANAMIDE COMPOUNDS AND USES THEREOF FOR TREATMENT OF PROSTATE CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2021-10-07 WO disclosed
US-20170121276-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-04 US disclosed
US-8093231-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2012-01-10 US disclosed
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES TELIK, INC. 2008-02-14 US disclosed
US-7262182-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2007-08-28 US disclosed
EP-1156044-B1 6-SUBSTITUTED HETEROQUINOLINECARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2004-08-25 EP disclosed
US-6562839-B1 Effective for the therapy of disorder of cerebral nerve cells as antagonists against excitatory amino acid receptors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2003-05-13 US disclosed
EP-1156044-A1 6-SUBSTITUTED HETEROQUINOLINECARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP disclosed
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 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-20170121276-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF EP300, KAT2A, HTT AR 892/4885CYP3A4 4782/4885CES2 2410/4885
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES MTAP, TYMP, PHOSPHO1 AR 2923/4885CYP3A4 3240/4885CES2 3705/4885

“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.