SCHEMBL4335807

SCHEMBL4335807

CC(C)OC(Cc1cn(CCOC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc12)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR2 P34972 1/20 0.37
FPR2 P25090 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PTGER4 P35408 1/20 0.37
MCL1 Q07820 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
SRC P12931 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4335595 0.91 MAPT (0.45) ADAM17MEN1KMT2ACNR2PTGER4
SCHEMBL4333072 0.89 MCL1 (0.41) ADAM17MEN1KMT2ACNR2NPC1
SCHEMBL4333236 0.88 MEN1 (0.52) MEN1KMT2ACNR2NPC1RAB9A
SCHEMBL4341814 0.83 MAPT (0.48) MEN1KMT2ACNR2NPC1RAB9A
SCHEMBL13819823 0.82 HTR6 (0.54) ADAM17KMT2AMAPTALDH1A1POLB
SCHEMBL4343631 0.81 MAPT (0.44) MEN1KMT2AMAPTALDH1A1TP53
SCHEMBL4336056 0.80 ADAM17 (0.46) ADAM17MAPTALDH1A1RECQLPPARG
SCHEMBL4334182 0.80 MGLL (0.45) MEN1KMT2AFPR2NPC1RAB9A
SCHEMBL4329377 0.77 PPARG (0.39) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL4341303 0.77 KMT2A (0.43) MEN1KMT2AFPR2NPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 ADAM17 4781/4885MEN1 4091/4885KMT2A 2774/4885

“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.