SCHEMBL19715611

SCHEMBL19715611

O=C(O)Oc1ccc([N+](=O)[O-])cc1.c1c[nH]nn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.47
▸ MAPT P10636 3/20 0.46
▸ SRD5A2 P31213 2/20 0.44
▸ BCL9 O00512 1/20 0.44
▸ CTNNB1 P35222 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MGLL Q99685 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL27814440 0.84 NPC1 (0.47) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL26375 0.83 GAA (0.62) GAAMAPTSRD5A2BCL9CTNNB1
SCHEMBL28106267 0.82 POLB (0.57) GAAMAPTSRD5A2ALDH1A1SMN1; SMN2
Bromide SCHEMBL30468845 0.81 GAA (0.61) GAAMAPTSRD5A2BCL9CTNNB1
Hydrochloric Acid SCHEMBL7895039 0.81 GAA (0.61) GAAMAPTSRD5A2BCL9CTNNB1
Bicarbonate SCHEMBL7985678 0.81 GAA (0.61) GAAMAPTSRD5A2BCL9CTNNB1
Pyrazole SCHEMBL21806516 0.80 ALDH1A1 (0.50) GAAMAPTSRD5A2BCL9CTNNB1
Nitrobenzene SCHEMBL1628920 0.80 ALDH1A1 (0.57) MAPTALDH1A1SMN1; SMN2KMT2AL3MBTL1
Bicarbonate SCHEMBL9330234 0.78 GAA (0.57) GAAMAPTSRD5A2BCL9CTNNB1
Cyclohexane SCHEMBL30739999 0.78 GAA (0.57) GAAMAPTSRD5A2BCL9CTNNB1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3986553-B1 CYCLOBUTYL CARBOXYLIC ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2026-03-25 — — EP disclosed
US-20260068185-A1 RADIOLIGANDS FOR IMAGING THE LPA1 RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2026-03-05 — — US disclosed
US-12466804-B2 Cyclobutyl carboxylic acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-11-11 — — US disclosed
EP-3986551-B1 TRIAZOLE CARBOXYLIC ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2025-10-29 — — EP disclosed
US-12435057-B2 Triazole carboxylic acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-10-07 — — US disclosed
US-12428430-B2 Oxabicyclo acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-30 — — US disclosed
EP-3866692-B1 RADIOLIGANDS FOR IMAGING THE LPA1 RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2025-07-23 — — EP disclosed
US-20250057995-A1 RADIOLIGANDS FOR IMAGING THE LPA1 RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2025-02-20 — — US disclosed
US-20250057815-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2025-02-20 — — US disclosed
US-12209072-B2 Cyclopentyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-01-28 — — US disclosed
WO-2020060915-A1 CYCLOPENTYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-26 — — WO disclosed
WO-2020060914-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-26 — — WO disclosed
WO-2020060916-A1 CYCLOHEPTYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-26 — — WO disclosed
EP-3472148-B1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-03-11 — — EP disclosed
US-10576062-B2 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-03 — — US disclosed
EP-3472148-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2019-04-24 — — EP disclosed
US-20180333395-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS CHENG PETER TAI WAH (US) 2018-11-22 — — US disclosed
US-10071078-B2 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2018-09-11 — — US disclosed
WO-2017223016-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-28 — — WO disclosed
US-20170360759-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS SYNGENE INTERNATIONAL LIMITED (IN) 2017-12-21 — — US 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 (11 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-20170360759-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 GAA 2004/4885MAPT 1956/4885SRD5A2 3515/4885
US-20250057995-A1 RADIOLIGANDS FOR IMAGING THE LPA1 RECEPTOR LPAR1, LPAR3, LPAR2 GAA 2490/4885MAPT 4082/4885SRD5A2 2647/4885
US-12209072-B2 Cyclopentyl acids as LPA antagonists LPAR1, LPAR5, LPAR2 GAA 2902/4885MAPT 959/4885SRD5A2 1469/4885
US-12435057-B2 Triazole carboxylic acids as LPA antagonists LPAR3, LPAR1, LPAR5 GAA 1901/4885MAPT 632/4885SRD5A2 2425/4885
US-12428430-B2 Oxabicyclo acids as LPA antagonists LPAR1, LPAR2, LPAR3 GAA 2051/4885MAPT 924/4885SRD5A2 1871/4885
US-10576062-B2 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 GAA 2004/4885MAPT 1956/4885SRD5A2 3515/4885
US-20260068185-A1 RADIOLIGANDS FOR IMAGING THE LPA1 RECEPTOR LPAR1, LPAR2, LPAR3 GAA 4386/4885MAPT 3750/4885SRD5A2 2149/4885
US-20250057815-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 GAA 2004/4885MAPT 1956/4885SRD5A2 3515/4885
US-12466804-B2 Cyclobutyl carboxylic acids as LPA antagonists LPAR1, LPAR3, LPAR2 GAA 2319/4885MAPT 626/4885SRD5A2 2451/4885
US-20180333395-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 GAA 2004/4885MAPT 1956/4885SRD5A2 3515/4885
US-10071078-B2 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 GAA 2004/4885MAPT 1956/4885SRD5A2 3515/4885

“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.

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