SCHEMBL4844451

SCHEMBL4844451

COC(=O)CCCCOc1cccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.40
TRPA1 O75762 2/20 0.39
PKM P14618 3/20 0.38
NPC1 O15118 1/20 0.37
ATM Q13315 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL4845058 0.98 RORC (0.40) RORCTRPA1PKMNPC1ATM
SCHEMBL4840183 0.94 FAAH (0.40) RORCTRPA1ATMKMT2A
SCHEMBL4841332 0.93 RORC (0.43) RORCTRPA1KMT2A
SCHEMBL4843218 0.92 FAAH (0.41) RORCTRPA1ATMKMT2A
SCHEMBL4842530 0.92 RORC (0.41) RORCTRPA1PKMNPC1ATM
SCHEMBL4841550 0.91 RORC (0.44) RORCTRPA1KMT2A
SCHEMBL4843348 0.90 NPC1 (0.39) RORCTRPA1NPC1ATMKMT2A
SCHEMBL4842754 0.90 RORC (0.44) RORCTRPA1KMT2A
SCHEMBL4843125 0.88 TRPA1 (0.39) RORCTRPA1
SCHEMBL4841421 0.88 RORC (0.40) RORC

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 RORC 1777/4885TRPA1 368/4885PKM 1415/4885

“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.