SCHEMBL2325902

SCHEMBL2325902

CCOC(=O)[C@H](CCS(=O)(=O)O)NC(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
CNR2 P34972 9/20 0.51
CNR1 P21554 1/20 0.45
GAA P10253 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
TP53 P04637 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PSMB8 P28062 1/20 0.43
PSMB5 P28074 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2328066 0.91 POLB (0.51) POLBCNR2CNR1CTSLCTSB
SCHEMBL2329062 0.90 POLB (0.51) POLBCNR2CTSLCTSBCTSS
SCHEMBL2329799 0.89 CNR2 (0.54) POLBCNR2SMN1; SMN2ALDH1A1MEN1
SCHEMBL13583738 0.88 MAPT (0.46) POLBHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL2322718 0.87 CNR2 (0.49) POLBCNR2CNR1GAACTSL
SCHEMBL13583552 0.86 SMN1; SMN2 (0.52) POLBHPGDSMN1; SMN2KMT2A
SCHEMBL2326606 0.84 POLB (0.52) POLBCNR2CNR1CTSLCTSB
SCHEMBL10431365 0.83 POLB (0.52) POLBCNR2CNR1GAACTSL
SCHEMBL2327265 0.82 CYP26A1 (0.47) POLBGAACTSLNPC1RAB9A
SCHEMBL11559927 0.81 TP53 (0.60) POLBCNR2CNR1GAACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356979-B1 ANTI-WRINKLE AGENTS POLA CHEM IND INC (JP) 2017-10-25 EP disclosed
EP-2524686-B1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT POLA CHEM IND INC (JP) 2017-06-21 EP disclosed
EP-3173063-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2017-05-31 EP disclosed
US-9066914-B2 Prophylactic or ameliorating agent for pigmentation POLA CHEMICAL INDUSTRIES INC. (JP) 2015-06-30 US disclosed
US-8835498-B2 Anti-wrinkle agents POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-16 US disclosed
EP-2524686-A1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT Pola Chemical Industries Inc. (JP) 2012-11-21 EP disclosed
US-20120282203-A1 PROPHYLACTIC OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2012-11-08 US disclosed
US-20110245343-A1 ANTI-WRINKLE AGENTS POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US disclosed
EP-2356979-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2011-08-17 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 (2 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-20120282203-A1 PROPHYLACTIC OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, NQO1 POLB 2688/4885CNR2 2530/4885CNR1 2492/4885
US-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 POLB 1044/4885CNR2 1779/4885CNR1 1303/4885

“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.