SCHEMBL4837709

SCHEMBL4837709

COC(=O)c1ccc(OCCNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3ccc(F)cc3Cl)cc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
TRPA1 O75762 14/20 0.38
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
GNRHR P30968 1/20 0.35
FFAR2 O15552 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4842862 0.93 TRPA1 (0.38) RORCTRPA1
SCHEMBL4842704 0.90 GNRHR (0.36) RORCTRPA1ALDH1A1POLBLMNA
SCHEMBL4833497 0.89 TSHR (0.37) RORCTRPA1ALDH1A1POLBLMNA
SCHEMBL4839596 0.88 POLB (0.36) RORCTRPA1ALDH1A1POLBLMNA
SCHEMBL4839294 0.88 TRPA1 (0.38) RORCTRPA1GNRHR
SCHEMBL4840863 0.86 PTGER3 (0.39) RORCTRPA1ALDH1A1POLBGNRHR
SCHEMBL4842689 0.85 MMP8 (0.39) TRPA1ALDH1A1LMNAGNRHR
SCHEMBL4837482 0.85 TSHR (0.35) RORCTRPA1GNRHRL3MBTL1
SCHEMBL4843191 0.85 TRPA1 (0.36) RORCTRPA1ALDH1A1POLBGNRHR
SCHEMBL4844821 0.85 RORC (0.38) RORCTRPA1ALDH1A1GNRHR

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 RORC 1777/4885TRPA1 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.