SCHEMBL4041379

SCHEMBL4041379

Nc1cccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.42
RORC P51449 4/20 0.41
P2RX7 Q99572 1/20 0.41
KMT2A Q03164 1/20 0.41
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MMP8 P22894 4/20 0.40
MMP3 P08254 2/20 0.40
TEAD1 P28347 1/20 0.39

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
SCHEMBL4033777 0.93 BACE1 (0.45) TRPA1RORCBACE1MMP8MMP3
SCHEMBL3827372 0.93 RORC (0.46) TRPA1RORCP2RX7KMT2ABACE1
SCHEMBL3841683 0.92 BACE1 (0.47) TRPA1RORCP2RX7KMT2ABACE1
SCHEMBL3827382 0.91 TRPA1 (0.43) TRPA1RORCP2RX7KMT2ABACE1
SCHEMBL4841534 0.90 LIPG (0.45) TRPA1RORCP2RX7KMT2AKDM4E
SCHEMBL4842113 0.90 RORC (0.44) TRPA1RORCP2RX7KMT2ABACE1
SCHEMBL4036565 0.89 TRPA1 (0.45) TRPA1RORCP2RX7KMT2AKDM4E
SCHEMBL4842032 0.88 RORC (0.43) TRPA1RORCP2RX7KMT2AKDM4E
SCHEMBL4033661 0.88 L3MBTL1 (0.44) TRPA1RORCP2RX7KMT2AKDM4E
SCHEMBL4039310 0.88 TRPA1 (0.45) TRPA1RORCBACE1MMP8MMP3

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
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP disclosed
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 TRPA1 368/4885RORC 1777/4885P2RX7 908/4885

“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.