SCHEMBL4842530

SCHEMBL4842530

COC(=O)COc1cccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.41
TRPA1 O75762 2/20 0.41
PKM P14618 3/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
P2RX7 Q99572 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4833084 0.94 TSHR (0.43) RORCTRPA1KMT2AALDH1A1LMNA
SCHEMBL4845058 0.92 RORC (0.40) RORCTRPA1PKMKMT2ANPC1
SCHEMBL4844451 0.92 RORC (0.40) RORCTRPA1PKMKMT2ANPC1
SCHEMBL4841652 0.90 NPC1 (0.41) RORCTRPA1KMT2AALDH1A1NPC1
SCHEMBL4842754 0.89 RORC (0.44) RORCTRPA1KMT2A
SCHEMBL4841550 0.88 RORC (0.44) RORCTRPA1KMT2A
SCHEMBL4843822 0.88 BACE1 (0.45) RORCTRPA1ALDH1A1LMNA
SCHEMBL4842449 0.88 BACE1 (0.45) RORCTRPA1ALDH1A1LMNA
SCHEMBL4841332 0.88 RORC (0.43) RORCTRPA1KMT2A
SCHEMBL4841421 0.88 RORC (0.40) RORCALDH1A1

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.