SCHEMBL2328964

SCHEMBL2328964

CCC(C(=O)N[C@@H](CS(=O)(=O)O)C(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 2/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
MME P08473 1/20 0.47
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4A O75164 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.45
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44

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
SCHEMBL2328957 1.00 KCNQ2 (0.49) KCNQ2MAPTALDH1A1POLBMME
SCHEMBL2328505 0.89 MME (0.49) KCNQ2MAPTPOLBMMEHDAC3
SCHEMBL2328501 0.89 MME (0.49) KCNQ2MAPTPOLBMMEHDAC3
SCHEMBL2328079 0.89 ALDH1A1 (0.49) KCNQ2MAPTALDH1A1POLBMME
SCHEMBL13583567 0.87 ALDH1A1 (0.47) KCNQ2MAPTALDH1A1POLBCRHBP
SCHEMBL13583561 0.87 ALDH1A1 (0.47) KCNQ2MAPTALDH1A1POLBCRHBP
SCHEMBL13583830 0.87 MME (0.54) POLBMME
SCHEMBL2330325 0.86 MME (0.49) KCNQ2MAPTALDH1A1POLBMME
SCHEMBL2327014 0.83 MME (0.49) MME
SCHEMBL2327018 0.83 MME (0.49) MME

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 KCNQ2 4669/4885MAPT 4275/4885ALDH1A1 136/4885
US-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 KCNQ2 4245/4885MAPT 4753/4885ALDH1A1 2655/4885

“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.