SCHEMBL3668959

SCHEMBL3668959

CC(C(=O)O)c1cccc(OC(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 8/20 0.69
PTGS2 P35354 9/20 0.53
MAPT P10636 3/20 0.53
SLC22A6 Q4U2R8 3/20 0.53
CXCR1 P25024 2/20 0.53
CXCR2 P25025 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
HIF1A Q16665 2/20 0.53
RECQL P46063 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
PMP22 Q01453 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CXCL8 P10145 1/20 0.53
THPO P40225 1/20 0.53
AKR1C3 P42330 7/20 0.50

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
SCHEMBL28079678 0.88 PTGS1 (0.53) PTGS1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL1416702 0.86 PTGS1 (0.73) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL11155861 0.85 PTGS1 (0.50) PTGS1MAPTSMN1; SMN2LMNAAKR1C3
SCHEMBL1759907 0.84 PTGS1 (0.65) PTGS1PTGS2MAPTSLC22A6CXCR1
Hydrochloric Acid SCHEMBL11169237 0.84 PTGS1 (0.49) PTGS1MAPTSMN1; SMN2LMNAAKR1C3
SCHEMBL29537690 0.84 PTGS1 (0.65) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL1991313 0.84 PTGS1 (0.65) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL361183 0.83 PTGS1 (0.73) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL15641441 0.83 PTGS1 (0.73) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL31635557 0.83 PTGS1 (0.73) PTGS1PTGS2MAPTSLC22A6CXCR1

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 3 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

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 PTGS1 1253/4885PTGS2 3523/4885MAPT 2314/4885

“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.