SCHEMBL4841534

SCHEMBL4841534

O=C(O)c1cccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.45
RORC P51449 4/20 0.42
TRPA1 O75762 2/20 0.42
KMT2A Q03164 2/20 0.42
ADAMTS7 Q9UKP4 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
MMP8 P22894 2/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
MMP3 P08254 1/20 0.41
CHRM3 P20309 1/20 0.41
P2RX7 Q99572 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 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) RORCTRPA1KMT2AMMP8MMP3
SCHEMBL4844942 0.93 RORC (0.43) RORCTRPA1KMT2AADAMTS7ADAMTS5
SCHEMBL4845228 0.92 RORC (0.41) LIPGRORCTRPA1KMT2AADAMTS7
SCHEMBL4836346 0.92 RORC (0.42) RORCTRPA1KMT2ALMNACHRM3
SCHEMBL4842113 0.91 RORC (0.44) RORCTRPA1KMT2AMMP8MMP3
SCHEMBL3827382 0.91 TRPA1 (0.43) RORCTRPA1KMT2AMMP8MMP3
SCHEMBL4041379 0.90 TRPA1 (0.42) RORCTRPA1KMT2AMMP8MMP3
SCHEMBL3841683 0.90 BACE1 (0.47) RORCTRPA1KMT2AMMP8MMP3
SCHEMBL4842032 0.89 RORC (0.43) RORCTRPA1KMT2AMMP8MMP3
SCHEMBL4036565 0.88 TRPA1 (0.45) 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 LIPG 84/4885RORC 1777/4885TRPA1 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.