SCHEMBL4033661

SCHEMBL4033661

O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.42
TRPA1 O75762 2/20 0.41
RORC P51449 4/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
P2RX7 Q99572 1/20 0.40
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MMP8 P22894 2/20 0.38
MMP3 P08254 1/20 0.38
NPC1 O15118 1/20 0.38
ACKR3 P25106 1/20 0.38

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
SCHEMBL4035981 0.93 PSEN1 (0.47) L3MBTL1ALDH1A1TRPA1RORCPSEN1
SCHEMBL3827372 0.91 RORC (0.46) TRPA1RORCP2RX7KMT2AMMP8
SCHEMBL3827382 0.89 TRPA1 (0.43) TRPA1RORCP2RX7KMT2AKDM4E
SCHEMBL4041379 0.88 TRPA1 (0.42) TRPA1RORCP2RX7KMT2AKDM4E
SCHEMBL3841683 0.88 BACE1 (0.47) TRPA1RORCP2RX7KMT2AKDM4E
SCHEMBL4841534 0.88 LIPG (0.45) TRPA1RORCP2RX7KMT2AKDM4E
SCHEMBL4842113 0.88 RORC (0.44) TRPA1RORCP2RX7KMT2AKDM4E
SCHEMBL4841652 0.87 NPC1 (0.41) ALDH1A1TRPA1RORCP2RX7KMT2A
SCHEMBL4836346 0.87 RORC (0.42) TRPA1RORCP2RX7KMT2AKDM4E
SCHEMBL4031790 0.87 TRPA1 (0.46) ALDH1A1TRPA1RORCKMT2AMMP8

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 L3MBTL1 1493/4885ALDH1A1 1819/4885TRPA1 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.