SCHEMBL4841488

SCHEMBL4841488

COC(=O)Cc1ccc(OCCNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
RORC P51449 7/20 0.36
ACLY P53396 2/20 0.36
MMP8 P22894 4/20 0.35
MMP3 P08254 2/20 0.35
KIFC1 Q9BW19 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
PPARD Q03181 1/20 0.34

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
SCHEMBL4845413 0.93 PPARD (0.42) CYP2C9CYP2C19RORCMMP8MMP3
SCHEMBL4840723 0.93 MCHR1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL4838429 0.92 PPARD (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL4841819 0.90 RORC (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL4841527 0.90 MAPT (0.40) ALDH1A1RORCMMP8MMP3
SCHEMBL4842584 0.90 MRGPRX4 (0.40) ALDH1A1MRGPRX4RORCACLYKIFC1
SCHEMBL4841421 0.89 RORC (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL4841435 0.88 TRPA1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL4842596 0.88 RORC (0.39) MRGPRX4RORCMMP8MMP3KIFC1
SCHEMBL4841619 0.88 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19RECQL

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 1819/4885CYP3A4 448/4885CYP2C9 1359/4885

“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.