SCHEMBL4844942

SCHEMBL4844942

O=C(O)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.43
BACE1 P56817 1/20 0.42
TRPA1 O75762 1/20 0.42
MMP8 P22894 2/20 0.42
MAPT P10636 2/20 0.42
MMP3 P08254 1/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
S1PR5 Q9H228 1/20 0.41
PTGER4 P35408 2/20 0.40
ADAMTS7 Q9UKP4 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
USP5 P45974 1/20 0.40
SERPINE1 P05121 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40

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 0.94 RORC (0.46) RORCBACE1TRPA1MMP8MAPT
SCHEMBL4841534 0.93 LIPG (0.45) RORCTRPA1MMP8MMP3ADAMTS7
SCHEMBL4842635 0.92 RORC (0.42) RORCMMP8MMP3S1PR5PTGER4
SCHEMBL4834178 0.92 BACE1 (0.47) RORCBACE1TRPA1MMP8MMP3
SCHEMBL4842475 0.92 BACE1 (0.47) RORCBACE1TRPA1MMP8MMP3
SCHEMBL4842623 0.92 BACE1 (0.47) RORCBACE1TRPA1MMP8MMP3
SCHEMBL4833445 0.92 RORC (0.45) RORCBACE1TRPA1
SCHEMBL4834162 0.91 BACE1 (0.46) RORCBACE1TRPA1MMP8MMP3
Potassium SCHEMBL4841487 0.91 BACE1 (0.46) RORCBACE1TRPA1MMP8MMP3
SCHEMBL4841476 0.91 BACE1 (0.46) RORCBACE1TRPA1MMP8MMP3

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 RORC 1777/4885BACE1 94/4885TRPA1 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.