SCHEMBL20154340

SCHEMBL20154340

CCOC(=O)c1cc(/C=C/CC(C)O)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
RAB9A P51151 3/20 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
SCHEMBL28429539 1.00 GABRA1 (0.40) GABRA1GABRB1GABRA3GABRB2GABRP
SCHEMBL21271480 0.83 TDP1 (0.45) ALDH1A1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL21271483 0.83 TDP1 (0.45) ALDH1A1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL20154341 0.81 GABRP (0.44) GABRA1GABRB1GABRA3GABRB2GABRP
SCHEMBL28423451 0.81 GABRP (0.44) GABRA1GABRB1GABRA3GABRB2GABRP
SCHEMBL261645 0.77 GABRP (0.47) GABRA1GABRB1GABRA3GABRB2GABRP
SCHEMBL4117098 0.75 CA1 (0.50) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL4117105 0.75 CA1 (0.50) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL14828663 0.73 GABRP (0.46) GABRA1GABRB1GABRA3GABRB2GABRP
SCHEMBL2518047 0.72 BAZ2B (0.56) GABRA1GABRB1GABRA3GABRB2GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111433207-B As alpha V Pyrrolopyrazine derivatives of integrin inhibitors 百时美施贵宝公司 2023-07-25 CN disclosed
CN-110139864-B Pyrrole amides as alpha V integrin inhibitors 百时美施贵宝公司 2022-08-23 CN disclosed
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-05 US disclosed
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-05 US disclosed
EP-3707142-B1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-12-08 EP disclosed
US-20210163501-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2021-06-03 US disclosed
EP-3538528-B1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-12-23 EP disclosed
US-10717736-B2 Pyrrole amides as alpha V integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-21 US disclosed
CN-111433207-A As αVPyrrolopyrazine derivatives of integrin inhibitors 百时美施贵宝公司 2020-07-17 CN disclosed
US-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089360-A1 PYRROLE AMIDES 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-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 GABRA1 1262/4885GABRB1 1342/4885GABRA3 1772/4885
US-20210163501-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGB5 GABRA1 1326/4885GABRB1 1225/4885GABRA3 1838/4885
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors ITGB1, ITGAV, ITGA1 GABRA1 1454/4885GABRB1 1593/4885GABRA3 2359/4885
US-10717736-B2 Pyrrole amides as alpha V integrin inhibitors ITGAV, ITGB1, ITGA1 GABRA1 1262/4885GABRB1 1342/4885GABRA3 1772/4885

“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.