SCHEMBL2322992

SCHEMBL2322992

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.45
CA1 P00915 2/20 0.44
CA12 O43570 1/20 0.44
MMP8 P22894 1/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
PTGS2 P35354 1/20 0.44
THPO P40225 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.40
CA2 P00918 1/20 0.40
RAB9A P51151 3/20 0.40
MAPK1 P28482 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
SCHEMBL2331790 0.86 CA12 (0.42) ACECA1CA12MMP8MAPT
SCHEMBL23693997 0.84 ALDH1A1 (0.43) CA1CA12MMP8MAPTKDM4E
SCHEMBL11196579 0.84 ALDH1A1 (0.47) CA1CA12MMP8MAPTSMN1; SMN2
SCHEMBL3385428 0.83 FNTA (0.44) CA12MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL3385432 0.83 FNTA (0.44) CA12MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL2052733 0.83 FNTA (0.44) CA12MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL2052734 0.83 FNTA (0.44) CA12MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL2327478 0.83 CA12 (0.42) CA1CA12MMP8MAPTSMN1; SMN2
SCHEMBL2327037 0.83 CA12 (0.42) CA1CA12MMP8MAPTSMN1; SMN2
SCHEMBL7712690 0.82 CA12 (0.44) CA1CA12MMP8MAPTSMN1; SMN2

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 ACE 4738/4885CA1 4797/4885CA12 4455/4885

“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.