SCHEMBL20140488

SCHEMBL20140488

O=C(O)C(CO)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
CYP2C19 P33261 1/20 0.44
LDHA P00338 1/20 0.42
CYP1A2 P05177 1/20 0.42
CNR2 P34972 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR2A P28223 1/20 0.39
CNR1 P21554 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL31135530 1.00 KMT2A (0.54) KMT2ACYP2C19LDHACYP1A2CNR2
SCHEMBL25377657 0.82 KMT2A (0.53) KMT2ACYP2C19CYP1A2L3MBTL1ALDH1A1
SCHEMBL6766 0.82 KMT2A (0.53) KMT2ACYP2C19CYP1A2L3MBTL1ALDH1A1
SCHEMBL9468277 0.82 KMT2A (0.61) KMT2ACYP2C19LDHACYP1A2CNR2
SCHEMBL5370872 0.82 KMT2A (0.53) KMT2ACYP2C19LDHACYP1A2CNR2
SCHEMBL7087165 0.81 ESR1 (0.48) KMT2ACYP2C19CYP1A2L3MBTL1ALDH1A1
SCHEMBL25293414 0.81 PTGS1 (0.44) KMT2ACYP2C19L3MBTL1ALDH1A1GAA
SCHEMBL4198436 0.80 CYP2C19 (0.59) KMT2ACYP2C19POLBSMN1; SMN2MEN1
SCHEMBL3689059 0.80 CYP2C19 (0.59) KMT2ACYP2C19POLBSMN1; SMN2MEN1
SCHEMBL468727 0.80 CYP2C19 (0.59) KMT2ACYP2C19POLBSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4469431-A1 4-SUBSTITUTED-PHENYL ACETAMIDES AND ARYLUREAS AS AGONISTS FOR THE ORPHAN RECEPTOR GPR88 Research Triangle Institute (US) 2024-12-04 EP disclosed
EP-3538526-B1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-04-10 EP disclosed
WO-2023146816-A1 4-SUBSTITUTED-PHENYL ACETAMIDES AND ARYLUREAS AS AGONISTS FOR THE ORPHAN RECEPTOR GPR88 RESEARCH TRIANGLE INSTITUTE (US) 2023-08-03 WO disclosed
WO-2023146816-A1 4-SUBSTITUTED-PHENYL ACETAMIDES AND ARYLUREAS AS AGONISTS FOR THE ORPHAN RECEPTOR GPR88 RESEARCH TRIANGLE INSTITUTE (US) 2023-08-03 WO disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
CN-110167934-B Cyclobutane-and azetidine-containing monocyclic and spiro compounds as alpha V integrin inhibitors 百时美施贵宝公司 2022-06-10 CN disclosed
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-08-12 US disclosed
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-25 US disclosed
EP-3538526-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
US-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-05 US disclosed
CN-110167934-A Monocycle and spiro-compound containing cyclobutane and containing azetidine as α V integrin inhibitor 百时美施贵宝公司 2019-08-23 CN disclosed
WO-2018089355-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2018089355-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS 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-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 KMT2A 3659/4885CYP2C19 1466/4885LDHA 4847/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 KMT2A 3761/4885CYP2C19 1158/4885LDHA 4860/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 KMT2A 3748/4885CYP2C19 1348/4885LDHA 4849/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 KMT2A 3517/4885CYP2C19 1726/4885LDHA 4850/4885

“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.