SCHEMBL4845301

SCHEMBL4845301

COC(=O)Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3ccc(F)cc3Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.40
TRPA1 O75762 9/20 0.40
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
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
SCHEMBL4841593 0.92 TRPA1 (0.40) POLBLMNATRPA1MMP3MMP8
SCHEMBL4842724 0.92 TRPA1 (0.40) POLBLMNATRPA1TP53MMP3
SCHEMBL4842502 0.92 TRPA1 (0.43) LMNATRPA1MAPTPKM
SCHEMBL4833963 0.92 ALDH1A1 (0.42) ALDH1A1POLBLMNATRPA1MAPT
SCHEMBL4840886 0.90 MMP8 (0.42) ALDH1A1LMNATRPA1MAPTMMP3
SCHEMBL4841036 0.89 ALDH1A1 (0.42) ALDH1A1POLBLMNATRPA1MAPT
SCHEMBL4904311 0.86 TRPA1 (0.43) LMNATRPA1MAPTPKM
SCHEMBL4843058 0.85 LMNA (0.42) POLBLMNAMAPTKMT2AMMP3
SCHEMBL4845116 0.84 MMP8 (0.42) ALDH1A1TRPA1MAPTMMP3MMP8
SCHEMBL4842641 0.84 GNRHR (0.39) POLBLMNATRPA1MAPTPKM

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 1819/4885POLB 4775/4885LMNA 1943/4885

“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.