SCHEMBL2330682

SCHEMBL2330682

CCCCC(C(=O)N[C@@H](CCS(=O)(=O)O)C(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.57
POLB P06746 1/20 0.47
ACE P12821 2/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
ENPEP Q07075 2/20 0.45
CA2 P00918 1/20 0.44
CASP3 P42574 3/20 0.43
GPR88 Q9GZN0 2/20 0.42
NAAA Q02083 2/20 0.41
PYGL P06737 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL2329919 0.92 MME (0.52) MMEPOLBACECPA1ACE2
SCHEMBL13583830 0.90 MME (0.54) MMEPOLBACECPA1ACE2
SCHEMBL2330325 0.90 MME (0.49) MMEPOLBENPEPGPR88
SCHEMBL13583674 0.88 MME (0.45) MMEPOLBCA2CASP3GPR88
SCHEMBL9825139 0.87 MME (0.65) MMEPOLBACECPA1ACE2
SCHEMBL2323705 0.84 MME (0.54) MMEENPEPGPR88
SCHEMBL9828899 0.83 MME (0.63) MMEPOLBACECPA1ACE2
SCHEMBL9828894 0.83 MME (0.63) MMEPOLBACECPA1ACE2
SCHEMBL2328501 0.82 MME (0.49) MMEPOLBACECPA1ACE2
SCHEMBL2328505 0.82 MME (0.49) MMEPOLBACECPA1ACE2

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 MME 3695/4885POLB 2688/4885ACE 4638/4885
US-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 MME 4624/4885POLB 1044/4885ACE 4738/4885

“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.