SCHEMBL2331790

SCHEMBL2331790

Cc1ccc(N[C@@H](CCS)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
MMP8 P22894 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.41
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ACE P12821 1/20 0.40
CASR P41180 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 4/20 0.39
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 3/20 0.38
GFER P55789 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NMT1 P30419 1/20 0.37

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
SCHEMBL2322992 0.86 ACE (0.45) CA12CA1MMP8POLBHPGD
SCHEMBL27485422 0.85 FPR2 (0.50) CA12CA1MMP8POLBHPGD
SCHEMBL31530762 0.84 GAA (0.43) CA12HPGDTDP1GAAALDH1A1
SCHEMBL11835127 0.83 GGH (0.48) CA12CA1MMP8POLBGAA
SCHEMBL2330247 0.83 AURKA (0.45) CA12CA1MMP8POLBMAPT
SCHEMBL11202170 0.82 PLAU (0.44) CA12CA1MMP8POLBHPGD
SCHEMBL11196579 0.81 ALDH1A1 (0.47) CA12CA1MMP8POLBHPGD
SCHEMBL11206465 0.81 MAPT (0.42) CA12CA1MMP8POLBMAPT
SCHEMBL2327593 0.81 ALDH1A1 (0.50) CA1POLBHPGDGAAKDM4E
SCHEMBL2331417 0.80 NPC1 (0.42) HPGDMAPTSMN1; SMN2CASRGAA

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 CA12 4455/4885CA1 4797/4885MMP8 1715/4885

“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.