SCHEMBL15727730

SCHEMBL15727730

CC(c1oc2ccc(C(F)(F)F)cc2c1Cl)N1CCN(C(=O)CO[C@H]2CC[C@H](N(C)c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.34
AR P10275 2/20 0.33
ENPP2 Q13822 6/20 0.32
MC4R P32245 1/20 0.32
PIM1 P11309 2/20 0.31
CES2 O00748 1/20 0.30
ABCB11 O95342 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CHRM1 P11229 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
TBXA2R P21731 1/20 0.30
AADAC P22760 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL15708093 1.00 STAT3 (0.34) STAT3ARENPP2MC4RPIM1
SCHEMBL15724811 0.94 AR (0.33) ARENPP2CYP3A4CYP2C9TSHR
SCHEMBL15727726 0.89 AR (0.36) STAT3ARENPP2MC4RCES2
SCHEMBL15707979 0.87 STAT3 (0.35) STAT3ARENPP2PIM1ALDH1A1
SCHEMBL15727722 0.87 STAT3 (0.35) STAT3ARENPP2PIM1ALDH1A1
SCHEMBL15709917 0.87 STAT3 (0.36) STAT3ARENPP2MC4R
SCHEMBL15727628 0.87 STAT3 (0.36) STAT3ARENPP2MC4R
SCHEMBL15724805 0.83 AR (0.35) ARENPP2CES2ABCB11ALDH1A1
SCHEMBL15724809 0.82 AR (0.34) STAT3ARENPP2CES2ABCB11
SCHEMBL15724807 0.81 AR (0.33) ARENPP2ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249102-B2 Anthelmintic compounds and compositions and method of using thereof MERIAL, INC. (US) 2016-02-02 US disclosed
WO-2014081697-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-30 WO disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 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 (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-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF CYP3A5, ABCC5, CXXC5 STAT3 4727/4885AR 3315/4885ENPP2 44/4885

“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.