SCHEMBL4844332

SCHEMBL4844332

O=C(O)c1ccc(CNC(=O)C2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPA1 O75762 11/20 0.40
LMNA P02545 1/20 0.40
RORC P51449 2/20 0.39
GNRHR P30968 1/20 0.39
PTGER3 P43115 1/20 0.39
FKBP1A P62942 1/20 0.39
ATM Q13315 1/20 0.39
MMP3 P08254 1/20 0.38
MMP8 P22894 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
SCHEMBL4841036 0.92 ALDH1A1 (0.42) MEN1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL1043993 0.92 TRPA1 (0.40) TRPA1LMNARORCPTGER3FKBP1A
SCHEMBL4841170 0.89 TRPA1 (0.44) MEN1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL4833567 0.88 TRPA1 (0.44) MAPTKMT2ATRPA1GNRHR
SCHEMBL4841593 0.88 TRPA1 (0.40) TRPA1LMNARORCMMP3MMP8
SCHEMBL4840487 0.87 RAB9A (0.42) MEN1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL4833757 0.87 CA12 (0.42) TRPA1RORCPTGER3MMP3MMP8
SCHEMBL4843919 0.86 TRPA1 (0.41) TRPA1LMNAGNRHR
SCHEMBL4833989 0.86 TRPA1 (0.42) MAPTTRPA1LMNA
SCHEMBL4837654 0.86 TRPA1 (0.44) MEN1CYP3A4CYP2D6MAPTCYP2C9

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 MEN1 2712/4885CYP3A4 448/4885CYP2D6 2219/4885

“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.