SCHEMBL4841652

SCHEMBL4841652

COC(=O)Cc1cccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
P2RX7 Q99572 1/20 0.41
TRPA1 O75762 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RORC P51449 5/20 0.40
MMP8 P22894 4/20 0.40
MMP3 P08254 2/20 0.40
BACE1 P56817 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
SCHEMBL4843822 0.95 BACE1 (0.45) TRPA1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4842449 0.95 BACE1 (0.45) TRPA1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4842113 0.92 RORC (0.44) P2RX7TRPA1KMT2AKDM4ERORC
SCHEMBL4843348 0.91 NPC1 (0.39) NPC1P2RX7TRPA1KMT2AKDM4E
SCHEMBL4842855 0.91 TRPA1 (0.44) TRPA1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4843312 0.91 TRPA1 (0.40) NPC1P2RX7TRPA1KMT2AKDM4E
SCHEMBL4838051 0.90 TRPA1 (0.41) NPC1TRPA1KMT2AALDH1A1CYP3A4
SCHEMBL4841435 0.90 TRPA1 (0.41) TRPA1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4842530 0.90 RORC (0.41) NPC1P2RX7TRPA1KMT2AKDM4E
SCHEMBL3827372 0.90 RORC (0.46) P2RX7TRPA1KMT2ARORCMMP8

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 NPC1 51/4885P2RX7 908/4885TRPA1 368/4885

“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.