SCHEMBL4845773

SCHEMBL4845773

COC(=O)Cc1ccc(OCCNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)c(C)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
RORC P51449 6/20 0.37
MMP8 P22894 4/20 0.35
MMP3 P08254 2/20 0.35
PTGER3 P43115 1/20 0.35
MMP1 P03956 1/20 0.35
ADAM17 P78536 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
FAAH O00519 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
SCHEMBL4845237 0.94 RORC (0.40) CYP2C9CYP2C19RORCMMP8MMP3
SCHEMBL4837840 0.94 RORC (0.39) ALDH1A1NPSR1CYP3A4CYP2C9CYP2C19
SCHEMBL4845034 0.93 ALDH1A1 (0.37) ALDH1A1NPSR1CYP3A4CYP2C9CYP2C19
SCHEMBL4841819 0.91 RORC (0.41) ALDH1A1NPSR1CYP3A4CYP2C9CYP2C19
SCHEMBL4841330 0.88 MMP8 (0.38) ALDH1A1NPSR1CYP3A4CYP2C9CYP2C19
SCHEMBL4843172 0.87 RORC (0.40) ALDH1A1NPSR1RORCMMP8MMP3
SCHEMBL4833198 0.87 RORC (0.40) CYP2C9CYP2C19RORCMMP8MMP3
SCHEMBL4841876 0.86 RORC (0.39) ALDH1A1NPSR1RORCMMP8MMP3
SCHEMBL4838054 0.86 MMP8 (0.42) ALDH1A1NPSR1MMP8MMP3PTGER3
SCHEMBL4833081 0.85 POLB (0.38) ALDH1A1NPSR1RORCMMP8MMP3

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 1819/4885NPSR1 101/4885CYP3A4 448/4885

“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.