SCHEMBL2331230

SCHEMBL2331230

COC(=O)c1ccccc1C(=O)N[C@@H](CS(=O)(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
TSHR P16473 4/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CFTR P13569 1/20 0.40
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 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
SCHEMBL2331224 1.00 CA1 (0.42) CA1CA2CA5ACA9TSHR
SCHEMBL2361489 0.88 TSHR (0.53) TSHRLMNAKMT2AKDM4EHSD17B10
SCHEMBL2361487 0.88 TSHR (0.53) TSHRLMNAKMT2AKDM4EHSD17B10
SCHEMBL2330438 0.87 KMT2A (0.46) CA1CA2CA5ACA9TSHR
SCHEMBL2327355 0.86 ITGB1 (0.41) CA1CA2KMT2AKDM4EHSD17B10
SCHEMBL2327347 0.86 ITGB1 (0.41) CA1CA2KMT2AKDM4EHSD17B10
SCHEMBL12984202 0.86 TGFBR1 (0.46) CA1CA2CA5ACA9TSHR
SCHEMBL2328462 0.86 KMT2A (0.44) CA1CA2KMT2AKDM4ECYP1A2
SCHEMBL2328455 0.86 KMT2A (0.44) CA1CA2KMT2AKDM4ECYP1A2
SCHEMBL2334197 0.85 HPGD (0.56) TSHRLMNAKMT2ANPC1ALDH1A1

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
EP-2356979-B1 ANTI-WRINKLE AGENTS POLA CHEM IND INC (JP) 2017-10-25 EP disclosed
EP-3173063-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2017-05-31 EP disclosed
US-8835498-B2 Anti-wrinkle agents POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-16 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 (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-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 CA1 4797/4885CA2 2926/4885CA5A 1773/4885

“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.