SCHEMBL4880197

SCHEMBL4880197

Cc1ccc(CNC(C)CC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 1/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
FFAR1 O14842 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
DPP4 P27487 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL4885856 1.00 SMN1; SMN2 (0.50) SMN1; SMN2LMNAMEN1KMT2AFFAR1
SCHEMBL4880184 1.00 SMN1; SMN2 (0.50) SMN1; SMN2LMNAMEN1KMT2AFFAR1
SCHEMBL2852187 0.86 SIGMAR1 (0.61) SMN1; SMN2MEN1KMT2AALDH1A1CD274
SCHEMBL4855673 0.86 SIGMAR1 (0.61) SMN1; SMN2MEN1KMT2AALDH1A1CD274
SCHEMBL4849306 0.86 SIGMAR1 (0.61) SMN1; SMN2MEN1KMT2AALDH1A1CD274
SCHEMBL4886566 0.85 DPP7 (0.50) SMN1; SMN2LMNAMEN1KMT2AFFAR1
SCHEMBL4886570 0.85 DPP7 (0.50) SMN1; SMN2LMNAMEN1KMT2AFFAR1
SCHEMBL4885582 0.85 HPGD (0.55) LMNAMEN1KMT2AALDH1A1SIGMAR1
SCHEMBL4888857 0.85 DPP7 (0.50) SMN1; SMN2LMNAMEN1KMT2AFFAR1
SCHEMBL4885577 0.85 HPGD (0.55) LMNAMEN1KMT2AALDH1A1SIGMAR1

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
EP-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
US-7449325-B2 Process for enzymatically producing either optically active N-substituted β-amino acids or esters thereof or optically active N-substituted 2-homopipecolic acids or esters thereof UBE INDUSTRIES, LTD. (JP) 2008-11-11 US disclosed
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester UBE INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 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-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester CYP8B1, SRR, HM13 SMN1; SMN2 4168/4885LMNA 1936/4885MEN1 3529/4885

“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.