SCHEMBL3841683

SCHEMBL3841683

NCc1cccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
TRPA1 O75762 3/20 0.42
RORC P51449 4/20 0.41
P2RX7 Q99572 1/20 0.41
KMT2A Q03164 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
SCHEMBL3827372 0.93 RORC (0.46) BACE1TRPA1RORCP2RX7KMT2A
SCHEMBL4041379 0.92 TRPA1 (0.42) BACE1TRPA1RORCP2RX7KMT2A
SCHEMBL4842113 0.91 RORC (0.44) BACE1TRPA1RORCP2RX7KMT2A
SCHEMBL3827382 0.91 TRPA1 (0.43) BACE1TRPA1RORCP2RX7KMT2A
SCHEMBL4842032 0.90 RORC (0.43) TRPA1RORCP2RX7KMT2AKDM4E
SCHEMBL4841534 0.90 LIPG (0.45) TRPA1RORCP2RX7KMT2AKDM4E
SCHEMBL4033777 0.90 BACE1 (0.45) BACE1TRPA1RORCMMP8MMP3
SCHEMBL4841652 0.89 NPC1 (0.41) BACE1TRPA1RORCP2RX7KMT2A
SCHEMBL4036565 0.89 TRPA1 (0.45) TRPA1RORCP2RX7KMT2AKDM4E
SCHEMBL4833223 0.89 RORC (0.42) TRPA1RORCP2RX7KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885695-B8 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-08-12 EP disclosed
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
EP-1885695-A2 NOVEL INDOLINE COMPOUNDS LABORATOIRES FOURNIER S.A. (FR) 2008-02-13 EP disclosed
WO-2007000550-A2 NOVEL INDOLINE COMPOUNDS LABORATOIRES FOURNIER S.A. (FR) 2007-01-04 WO 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 BACE1 94/4885TRPA1 368/4885RORC 1777/4885

“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.