SCHEMBL4845004

SCHEMBL4845004

COC(=O)c1ccc(OCCNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3ccc(F)cc3OC)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
TRPA1 O75762 4/20 0.39
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ADAM17 P78536 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
MMP8 P22894 4/20 0.36
MMP3 P08254 2/20 0.36
PTGER3 P43115 1/20 0.35
TSHR P16473 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4842969 0.94 MAPT (0.40) MAPTTRPA1MMP1MMP9MMP13
SCHEMBL4838047 0.94 CA12 (0.39) MAPTTRPA1MMP1MMP9MMP13
SCHEMBL4833271 0.93 MMP1 (0.39) MAPTTRPA1MMP1MMP9MMP13
SCHEMBL4843191 0.93 TRPA1 (0.36) MAPTTRPA1MMP1MMP9MMP13
SCHEMBL4833504 0.92 MAPT (0.40) MAPTTRPA1MMP1MMP9MMP13
SCHEMBL4841297 0.92 MAPT (0.41) MAPTTRPA1MMP1MMP9MMP13
SCHEMBL4844870 0.88 MAPT (0.42) MAPTTRPA1MMP1MMP9MMP13
SCHEMBL4838206 0.87 CA12 (0.40) TRPA1ALDH1A1NPSR1MMP8MMP3
SCHEMBL4841040 0.87 MAPT (0.40) MAPTTRPA1MMP1MMP9MMP13
SCHEMBL4840502 0.87 MAPT (0.39) MAPTTRPA1LMNAPOLB

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 MAPT 763/4885TRPA1 368/4885MMP1 3209/4885

“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.