SCHEMBL4842736

SCHEMBL4842736

COC(=O)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 3/20 0.43
TRPA1 O75762 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
RORC P51449 6/20 0.40
MAPT P10636 2/20 0.39
MAPK14 Q16539 1/20 0.38
TP53 P04637 1/20 0.38
EPHX2 P34913 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DGAT2 Q96PD7 1/20 0.36

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
SCHEMBL4841442 0.92 TRPA1 (0.43) GNRHRTRPA1RORCMAPTTP53
SCHEMBL4844778 0.92 TRPA1 (0.42) GNRHRTRPA1LMNARORCMAPT
SCHEMBL4833445 0.89 RORC (0.45) TRPA1LMNARORC
SCHEMBL4033657 0.89 TP53 (0.47) GNRHRTRPA1ALDH1A1LMNARORC
SCHEMBL4841435 0.89 TRPA1 (0.41) GNRHRTRPA1ALDH1A1LMNARORC
SCHEMBL4836346 0.88 RORC (0.42) TRPA1LMNARORCMAPT
SCHEMBL4842584 0.88 MRGPRX4 (0.40) GNRHRALDH1A1LMNAPOLBRORC
SCHEMBL4833021 0.86 TRPA1 (0.42) TRPA1LMNAPOLBRORC
SCHEMBL4842663 0.86 TRPA1 (0.42) GNRHRTRPA1LMNARORC
SCHEMBL4039610 0.85 RAB9A (0.47) TRPA1ALDH1A1LMNAPOLBRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 GNRHR 2528/4885TRPA1 368/4885ALDH1A1 1819/4885

“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.