SCHEMBL1486201

SCHEMBL1486201

CC(C)(C)OC(=O)N[C@](CO)(Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
AKT1 P31749 3/20 0.45
CTSS P25774 6/20 0.44
CTSL P07711 3/20 0.44
CTSB P07858 3/20 0.44
CTSK P43235 3/20 0.44
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
ATM Q13315 1/20 0.43
ACE P12821 1/20 0.43
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SYK P43405 1/20 0.41

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
SCHEMBL2711160 0.93 CA12 (0.50) CA12CA1CA7CA14AKT1
SCHEMBL2343598 0.89 CA12 (0.45) CA12CA1CA7CA14AKT1
SCHEMBL2343596 0.89 CA12 (0.45) CA12CA1CA7CA14AKT1
SCHEMBL5356277 0.87 AKT1 (0.50) CA12CA1CA7CA14AKT1
SCHEMBL11586767 0.87 CA12 (0.46) CA12CA1CA7CA14AKT1
SCHEMBL7521815 0.87 CA12 (0.46) CA12CA1CA7CA14AKT1
SCHEMBL2711802 0.86 AKT1 (0.46) CA12CA1CA7CA14AKT1
SCHEMBL6473389 0.86 CA12 (0.45) CA12CA1CA7CA14AKT1
SCHEMBL27485421 0.86 CA12 (0.45) CA12CA1CA7CA14AKT1
SCHEMBL3511915 0.85 CA12 (0.44) CA12CA1CA7CA14AKT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106674032-B Non-natural chirality serine new synthetic method 南京大学 2019-05-24 CN disclosed
US-9257576-B2 Amino acid generator and polysiloxane composition containing the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
US-20130313669-A1 AMINO ACID GENERATOR AND POLYSILOXANE COMPOSITION CONTAINING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-11-28 US disclosed
US-20110073977-A1 AMINO ACID GENERATOR AND POLYSILOXANE COMPOSITION CONTAINING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-03-31 US 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-20110073977-A1 AMINO ACID GENERATOR AND POLYSILOXANE COMPOSITION CONTAINING THE SAME DAO, BCAT1, BCAT2 CA12 1143/4885CA1 69/4885CA7 1327/4885

“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.