SCHEMBL4841490

SCHEMBL4841490

O=C(O)CSc1cccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
RORC P51449 8/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TRPA1 O75762 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP8 P22894 2/20 0.39
MMP3 P08254 1/20 0.39
P2RX7 Q99572 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 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
SCHEMBL4845081 0.93 RORC (0.41) ALDH1A1RORCGAANPC1RAB9A
SCHEMBL4841618 0.92 ALDH1A1 (0.41) ALDH1A1RORCGAANPC1RAB9A
SCHEMBL3827372 0.90 RORC (0.46) RORCTRPA1KMT2AMMP8MMP3
SCHEMBL4842113 0.89 RORC (0.44) RORCTRPA1KMT2AMMP8MMP3
SCHEMBL4842032 0.87 RORC (0.43) RORCTRPA1KMT2AMMP8MMP3
SCHEMBL4841534 0.87 LIPG (0.45) RORCRAB9ATRPA1KMT2AMMP8
SCHEMBL3827382 0.87 TRPA1 (0.43) RORCTRPA1KMT2AMMP8MMP3
SCHEMBL4834178 0.86 BACE1 (0.47) RORCTRPA1MMP8MMP3
SCHEMBL4842623 0.86 BACE1 (0.47) RORCTRPA1MMP8MMP3
SCHEMBL3841683 0.86 BACE1 (0.47) RORCTRPA1KMT2AMMP8MMP3

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 ALDH1A1 1819/4885RORC 1777/4885GAA 1612/4885

“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.