SCHEMBL4839596

SCHEMBL4839596

COC(=O)c1cc(C)c(OCCNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3ccc(F)cc3Cl)cc2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TRPA1 O75762 6/20 0.36
RORC P51449 1/20 0.35
MAPK1 P28482 1/20 0.35
GNRHR P30968 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
ADAM17 P78536 1/20 0.35
MAPT P10636 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGER3 P43115 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
SCHEMBL4839545 0.94 TRPA1 (0.36) POLBALDH1A1LMNATRPA1RORC
SCHEMBL4838499 0.94 TRPA1 (0.37) POLBALDH1A1TRPA1RORCMAPK1
SCHEMBL4837504 0.93 TRPA1 (0.36) POLBALDH1A1TRPA1RORCMAPK1
SCHEMBL4840901 0.92 TRPA1 (0.39) POLBALDH1A1LMNATRPA1RORC
SCHEMBL4833497 0.92 TSHR (0.37) POLBALDH1A1LMNATRPA1RORC
SCHEMBL4838813 0.92 MMP8 (0.40) POLBALDH1A1TRPA1RORCMAPK1
SCHEMBL4842704 0.88 GNRHR (0.36) POLBALDH1A1LMNATRPA1RORC
SCHEMBL4837709 0.88 RORC (0.38) POLBALDH1A1LMNATRPA1RORC
SCHEMBL4845391 0.87 TRPA1 (0.37) ALDH1A1LMNATRPA1RORCMAPK1
SCHEMBL4837482 0.87 TSHR (0.35) TRPA1RORCMAPK1GNRHRMAPT

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 POLB 4775/4885ALDH1A1 1819/4885LMNA 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.