SCHEMBL4833084

SCHEMBL4833084

COC(=O)COc1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
RORC P51449 4/20 0.40
GPR34 Q9UPC5 1/20 0.40
ADAMTS5 Q9UNA0 2/20 0.40
TRPA1 O75762 2/20 0.40
KMT2A Q03164 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATM Q13315 1/20 0.39
MMP1 P03956 1/20 0.39
ADAM17 P78536 1/20 0.39
BACE1 P56817 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 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
SCHEMBL4842530 0.94 RORC (0.41) TSHRRORCTRPA1KMT2ALMNA
SCHEMBL4843218 0.92 FAAH (0.41) RORCADAMTS5TRPA1KMT2AADAMTS4
SCHEMBL4840183 0.92 FAAH (0.40) RORCADAMTS5TRPA1KMT2AADAMTS4
SCHEMBL4843822 0.91 BACE1 (0.45) RORCTRPA1LMNAALDH1A1NPSR1
SCHEMBL4842449 0.91 BACE1 (0.45) RORCTRPA1LMNAALDH1A1NPSR1
SCHEMBL4839795 0.90 TRPA1 (0.40) RORCTRPA1LMNABACE1
SCHEMBL4834142 0.90 RORC (0.39) RORCADAMTS5TRPA1KMT2AADAMTS4
SCHEMBL4841471 0.89 RORC (0.41) RORCGPR34ADAMTS5TRPA1KMT2A
SCHEMBL3884666 0.89 TRPA1 (0.41) RORCTRPA1LMNAPOLBBACE1
SCHEMBL4843125 0.89 TRPA1 (0.39) RORCTRPA1LMNABACE1

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 TSHR 681/4885RORC 1777/4885GPR34 837/4885

“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.