SCHEMBL16017643

SCHEMBL16017643

C[C@H](Cc1ccc(CN)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.51
FFAR1 O14842 2/20 0.48
PTGS1 P23219 3/20 0.47
PTGS2 P35354 3/20 0.47
LMNA P02545 2/20 0.47
CYP2C9 P11712 2/20 0.47
AKR1C3 P42330 2/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
ALB P02768 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX5 P09917 1/20 0.47
RARB P10826 1/20 0.47
ADRB3 P13945 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR2A P28223 1/20 0.47
NR1I3 Q14994 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
CXCL8 P10145 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL28052529 1.00 TBXAS1 (0.51) TBXAS1FFAR1PTGS1PTGS2LMNA
SCHEMBL11237591 0.89 TBXAS1 (0.59) TBXAS1FFAR1PTGS1PTGS2LMNA
SCHEMBL20272562 0.85 PLA2G10 (0.50) TBXAS1FFAR1NFKB1SMN1; SMN2PLA2G10
SCHEMBL11471957 0.85 TBXAS1 (0.49) TBXAS1FFAR1PTGS1PTGS2LMNA
SCHEMBL23643108 0.84 EPHX1 (0.50) ALOX5KDM4ESMN1; SMN2LOXL2TAAR1
SCHEMBL27780403 0.84 KDM4E (0.46) ESR1KDM4ESMN1; SMN2LOXL2SLC7A5
SCHEMBL12200630 0.84 TBXAS1 (0.51) TBXAS1FFAR1PTGS1PTGS2LMNA
SCHEMBL15134789 0.84 TBXAS1 (0.51) TBXAS1FFAR1PTGS1PTGS2LMNA
SCHEMBL15568884 0.84 TBXAS1 (0.51) TBXAS1FFAR1PTGS1PTGS2LMNA
SCHEMBL19553694 0.83 PTGS1 (0.66) TBXAS1PTGS1PTGS2LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256912-A1 Stabilized Variant MAML Peptides and Uses Thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-11 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-20140256912-A1 Stabilized Variant MAML Peptides and Uses Thereof NOTCH1, MDN1, NOTCH2 TBXAS1 3553/4885FFAR1 3653/4885PTGS1 4542/4885

“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.