SCHEMBL3667658

SCHEMBL3667658

COc1ccc(C(C)C(=O)O)cc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.61
CYP2C19 P33261 3/20 0.61
APP P05067 3/20 0.61
AKR1C3 P42330 10/20 0.57
AKR1C2 P52895 10/20 0.57
PTGS1 P23219 6/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 2/20 0.56
TSHR P16473 2/20 0.56
SLC22A6 Q4U2R8 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
FABP2 P12104 1/20 0.56
AKR1C4 P17516 1/20 0.56
ADRA2B P18089 1/20 0.56
CHRM3 P20309 1/20 0.56
HTR2C P28335 1/20 0.56
DRD3 P35462 1/20 0.56
AKR1C1 Q04828 1/20 0.56

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
SCHEMBL14892302 0.85 APP (0.54) PTGS2CYP2C19APPAKR1C3AKR1C2
SCHEMBL5122373 0.84 ACHE (0.61) PTGS2CYP2C19AKR1C3AKR1C2PTGS1
SCHEMBL490776 0.84 ACHE (0.61) PTGS2CYP2C19AKR1C3AKR1C2PTGS1
SCHEMBL14032691 0.84 ACHE (0.61) PTGS2CYP2C19AKR1C3AKR1C2PTGS1
SCHEMBL30536168 0.83 BLM (0.64) PTGS2CYP2C19APPAKR1C3AKR1C2
SCHEMBL3621168 0.83 LMNA (0.56) PTGS2CYP2C19APPAKR1C3AKR1C2
SCHEMBL8320075 0.83 APP (0.72) PTGS2CYP2C19APPAKR1C3AKR1C2
Hydrochloric Acid SCHEMBL3225395 0.83 ACHE (0.59) PTGS2CYP2C19AKR1C3AKR1C2PTGS1
SCHEMBL3817028 0.82 LMNA (0.54) PTGS2CYP2C19APPMEN1KMT2A
SCHEMBL490724 0.81 AKR1C3 (0.57) PTGS2CYP2C19APPAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
US-4310675-A Monoradioiodinated imidazole derivatives BECTON DICKINSON & COMPANY (US) 1982-01-12 US disclosed
US-4202874-A Monoradioiodinated derivatives and precursors for production thereon BECTON DICKINSON & COMPANY (US) 1980-05-13 US disclosed
US-4120867-A Monoradioiodinated phenolic esters, acids and amines BECTON, DICKINSON & COMPANY (US) 1978-10-17 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 PTGS2 3523/4885CYP2C19 2494/4885APP 2269/4885

“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.