SCHEMBL4841583

SCHEMBL4841583

CCOC(=O)CCSc1cccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RORC P51449 4/20 0.36
TRPA1 O75762 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4833515 0.94 RORC (0.37) P2RX7RORCTRPA1KMT2AALDH1A1
SCHEMBL4845081 0.91 RORC (0.41) P2RX7NPC1RAB9ARORCTRPA1
SCHEMBL4837961 0.90 P2RX7 (0.40) P2RX7NPC1KDM4ERORCTRPA1
SCHEMBL4836571 0.89 TRPA1 (0.40) RORCTRPA1KMT2AALDH1A1POLB
SCHEMBL4841618 0.89 ALDH1A1 (0.41) P2RX7NPC1RAB9AKDM4ERORC
SCHEMBL4841490 0.86 ALDH1A1 (0.44) P2RX7NPC1RAB9AKDM4ERORC
SCHEMBL4838595 0.85 TRPA1 (0.42) RORCTRPA1KMT2AALDH1A1CYP3A4
SCHEMBL4832983 0.84 RORC (0.41) RORCTRPA1KMT2A
SCHEMBL3827372 0.84 RORC (0.46) P2RX7RORCTRPA1KMT2AMAPT
SCHEMBL4841652 0.83 NPC1 (0.41) P2RX7NPC1KDM4ERORCTRPA1

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 P2RX7 908/4885NPC1 51/4885RAB9A 2028/4885

“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.