SCHEMBL16488807

SCHEMBL16488807

C[C@H](CC(=O)O)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.60
CPB1 P15086 1/20 0.60
CPA3 P15088 1/20 0.60
CPB2 Q96IY4 1/20 0.60
LTA4H P09960 2/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CYP1A2 P05177 1/20 0.52
MIF P14174 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGB1 P05556 1/20 0.49
ITGAV P06756 1/20 0.49
ITGB5 P18084 1/20 0.49
ITGB6 P18564 1/20 0.49

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
SCHEMBL14542152 1.00 CPA1 (0.60) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL750878 1.00 CPA1 (0.60) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL9863278 0.98 CPA1 (0.58) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL25955007 0.90 CPA1 (0.55) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL13534695 0.89 FFAR1 (0.55) CPA1
SCHEMBL12052895 0.88 FOLH1 (0.50) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL16691549 0.86 ALPI (0.52) CPA1CPB1CPA3CPB2NPC1
SCHEMBL10835297 0.86 ALPI (0.52) CPA1CPB1CPA3CPB2NPC1
SCHEMBL24897744 0.84 ALDH1A1 (0.48) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL14032253 0.84 TAAR1 (0.52) CPA1ITGB3ITGB1ITGAVITGB5

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
US-20230286909-A1 AMPHETAMINE CARBAMATE COMPOUNDS AND METHODS NOVEN PHARMACEUTICALS, INC. (US) 2023-09-14 US disclosed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US disclosed
US-20170247688-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2017-08-31 US disclosed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 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 (3 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-20230286909-A1 AMPHETAMINE CARBAMATE COMPOUNDS AND METHODS CHAT, CES2, NAAA CPA1 1994/4885CPB1 1213/4885CPA3 1196/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS CPA1 81/4885CPB1 59/4885CPA3 16/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS CPA1 81/4885CPB1 59/4885CPA3 16/4885

“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.