SCHEMBL20140554

SCHEMBL20140554

Cn1c(Br)cnc1/C=C/C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 4/20 0.40
MAPK1 P28482 3/20 0.40
HSP90AA1 P07900 2/20 0.40
JAK2 O60674 1/20 0.40
RECQL P46063 1/20 0.40
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 2/20 0.37
P4HTM Q9NXG6 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 2/20 0.35
EIF2AK2 P19525 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
BLM P54132 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL28874201 0.79 ATM (0.62) ATMNPSR1MAPK1HSP90AA1JAK2
SCHEMBL16968066 0.69 KDM4E (0.42) GAAKDM4EKMT2A
SCHEMBL28740498 0.69 NPSR1 (0.38) NPSR1MAPK1MAPTTDP1GAA
SCHEMBL20141099 0.69 NPSR1 (0.38) NPSR1MAPK1MAPTTDP1GAA
SCHEMBL19897461 0.68 KDM4E (0.35) ALDH1A1KDM4EL3MBTL1HCAR2SMN1; SMN2
SCHEMBL24248567 0.68 TBXAS1 (0.47) ATMMAPK1MAPTPKMTDP1
SCHEMBL1756847 0.68 TBXAS1 (0.40) MAPK1GAAP4HTMALDH1A1CYP3A4
SCHEMBL1756842 0.68 TBXAS1 (0.40) MAPK1GAAP4HTMALDH1A1CYP3A4
SCHEMBL1124384 0.67 ALDH1A1 (0.41) NPSR1MAPK1GAAP4HTMALDH1A1
SCHEMBL1124386 0.67 ALDH1A1 (0.41) NPSR1MAPK1GAAP4HTMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-30 US disclosed
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
CN-110167935-B 3-substituted propionic acids as alpha V integrin inhibitors 百时美施贵宝公司 2022-05-27 CN 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
EP-3538525-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 EP 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 (4 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 ATM 2816/4885NPSR1 1589/4885MAPK1 1357/4885
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV ATM 3644/4885NPSR1 1908/4885MAPK1 1185/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 ATM 3660/4885NPSR1 1307/4885MAPK1 1313/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV ATM 2921/4885NPSR1 2342/4885MAPK1 1194/4885

“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.