SCHEMBL17403185

SCHEMBL17403185

Cc1ccc(CC(C)C(=O)Cl)c(CBr)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.37
ADAM17 P78536 1/20 0.37
SRC P12931 2/20 0.34
MC4R P32245 4/20 0.33
GSK3B P49841 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
CSNK2A1 P68400 1/20 0.33
THRB P10828 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS2 P35354 1/20 0.31

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
SCHEMBL15808875 0.84 MMP2 (0.40) MMP2ADAM17SRCALOX15ALDH1A1
SCHEMBL15822166 0.82 ALOX15 (0.45) MMP2ADAM17MC4RCYP1A2CYP3A4
SCHEMBL29390329 0.82 ALOX15 (0.45) MMP2ADAM17MC4RCYP1A2CYP3A4
SCHEMBL18009548 0.75 TSHR (0.42) CYP3A4ALDH1A1MAPTPOLBKMT2A
SCHEMBL233314 0.74 TAAR1 (0.41) SRCCYP1A2CYP3A4ALOX15ALDH1A1
SCHEMBL8577196 0.72 CYP1A2 (0.42) MMP2ADAM17CYP1A2CYP2C19ALDH1A1
SCHEMBL2486083 0.72 ACACB (0.45) MEN1KMT2APTGS2
SCHEMBL8142729 0.71 AMY1A (0.38) SRCGSK3BCYP1A2
SCHEMBL14645471 0.71 FFAR4 (0.35) MMP2ADAM17ALDH1A1MAPTMEN1
SCHEMBL2485263 0.71 PPARA (0.42) CYP1A2CYP3A4CYP2D6ALOX15CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469699-B2 Catalysts BOREALIS AG (AT) 2016-10-18 US disclosed
US-9469699-B2 Catalysts BOREALIS AG (AT) 2016-10-18 US disclosed
US-20160002369-A1 CATALYSTS BOREALIS AG (AT) 2016-01-07 US disclosed
US-20160002369-A1 CATALYSTS BOREALIS AG (AT) 2016-01-07 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 (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-20160002369-A1 CATALYSTS SIGMAR1, SFN, AP3S1 MMP2 3258/4885ADAM17 4532/4885SRC 226/4885

“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.