SCHEMBL20153362

SCHEMBL20153362

CCOC(=O)/C=C\c1ccc(OC)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.61
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
MAOB P27338 2/20 0.57
TTR P02766 1/20 0.55
DPP4 P27487 1/20 0.55
CYP3A4 P08684 1/20 0.52
ACHE P22303 4/20 0.50
BCHE P06276 3/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48

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
SCHEMBL30018286 1.00 FDPS (0.61) FDPSCA12CA1CA2CA7
SCHEMBL29860630 1.00 FDPS (0.61) FDPSCA12CA1CA2CA7
SCHEMBL3870746 1.00 FDPS (0.61) FDPSCA12CA1CA2CA7
SCHEMBL3870743 1.00 FDPS (0.61) FDPSCA12CA1CA2CA7
SCHEMBL8664417 0.86 FDPS (0.58) FDPSCA12CA1CA2CA7
SCHEMBL8664419 0.86 FDPS (0.58) FDPSCA12CA1CA2CA7
SCHEMBL16409388 0.85 CA12 (0.55) FDPSCA12CA1CA2CA7
SCHEMBL1914096 0.84 CA12 (0.60) FDPSCA12CA1CA2CA7
SCHEMBL1914092 0.84 CA12 (0.60) FDPSCA12CA1CA2CA7
SCHEMBL8663797 0.83 CA12 (0.64) FDPSCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-29 US disclosed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO 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-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 FDPS 2311/4885CA12 2744/4885CA1 2676/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 FDPS 2418/4885CA12 2887/4885CA1 2568/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV FDPS 2209/4885CA12 2547/4885CA1 2658/4885

“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.