SCHEMBL22496032

SCHEMBL22496032

[CH2]c1c(-c2ccc(Br)cc2)noc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.46
PTGS1 P23219 3/20 0.46
CACNA1F O60840 1/20 0.41
ABCB1 P08183 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
RAB9A P51151 1/20 0.41
GABRA5 P31644 1/20 0.40
CYP3A4 P08684 2/20 0.38
CA12 O43570 1/20 0.38
MT-CO2 P00403 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
CA3 P07451 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL2205044 0.81 PTGS2 (0.69) PTGS2PTGS1GABRA5CYP3A4CA12
SCHEMBL13170545 0.78 RAB9A (0.48) PTGS2PTGS1CACNA1FABCB1CACNA1D
SCHEMBL4586525 0.77 PTGS2 (0.80) PTGS2PTGS1CYP3A4CA12MT-CO2
SCHEMBL28298821 0.77 PTGS2 (0.80) PTGS2PTGS1CYP3A4CA12MT-CO2
SCHEMBL6987 0.75 GABRA5 (0.50) PTGS2PTGS1CACNA1FABCB1CACNA1D
SCHEMBL14790148 0.75 GABRA5 (0.50) PTGS2PTGS1CACNA1FABCB1CACNA1D
SCHEMBL22230645 0.74 GABRA5 (0.49) PTGS2PTGS1CACNA1FABCB1CACNA1D
SCHEMBL6516278 0.74 PTGS2 (0.54) PTGS2PTGS1CYP3A4CA12MT-CO2
SCHEMBL1772573 0.73 BRD4 (0.66) CYP3A4LMNATDP1MEN1KMT2A
SCHEMBL1246411 0.73 KMT2A (0.56) RAB9ATDP1KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112771027-B Lysophosphatidic acid receptor antagonists and process for preparing the same 武汉朗来科技发展有限公司 2024-03-05 CN disclosed
EP-3728240-B1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-06-29 EP disclosed
US-11180488-B2 Isoxazole o-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL MYERS SQUIBB CO (US) 2021-11-23 US disclosed
CN-112771027-A Lysophosphatidic acid receptor antagonists and process for their preparation 武汉朗来科技发展有限公司 2021-05-07 CN disclosed
EP-3728240-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-10-28 EP disclosed
US-20200317655-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-08 US disclosed
CN-111434655-A Lysophosphatidic acid receptor antagonists and process for their preparation 武汉朗来科技发展有限公司 2020-07-21 CN 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 (2 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-20200317655-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR4, LPAR6 PTGS2 4538/4885PTGS1 3970/4885CACNA1F 981/4885
US-11180488-B2 Isoxazole o-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR6, LPAR4 PTGS2 4463/4885PTGS1 3915/4885CACNA1F 1005/4885

“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.