SCHEMBL11296855

SCHEMBL11296855

CC(=O)CCCOC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.42
SLC15A2 Q16348 1/20 0.42
PAOX Q6QHF9 4/20 0.41
ACHE P22303 1/20 0.41
TSHR P16473 2/20 0.33
HCAR2 Q8TDS4 2/20 0.33
ATM Q13315 1/20 0.33
NAAA Q02083 2/20 0.32
DGKA P23743 1/20 0.32

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
SCHEMBL26695770 0.91 ALDH1A1 (0.36) ALDH1A1LMNASLC15A2PAOXACHE
SCHEMBL4453065 0.84
SCHEMBL7189063 0.82 DGKA (0.55) ALDH1A1TSHRDGKA
SCHEMBL21057919 0.82 ALDH1A1 (0.45) ALDH1A1LMNASLC15A2PAOXACHE
SCHEMBL305496 0.82 ALDH1A1 (0.61) ALDH1A1LMNASLC15A2PAOXACHE
SCHEMBL9543151 0.81 TSHR (0.39) ALDH1A1TSHRHCAR2ATMNAAA
SCHEMBL26695997 0.79 LMNA (0.48) ALDH1A1LMNASLC15A2TSHR
SCHEMBL7606415 0.79 LMNA (0.53) ALDH1A1LMNATSHR
SCHEMBL17180617 0.78 LMNA (0.46) ALDH1A1LMNASLC15A2PAOXACHE
SCHEMBL16020394 0.78 ADRA2A (0.48) ALDH1A1LMNASLC15A2PAOXACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112521368-B Triazole N-linked carbamoyl cyclohexyl acid as LPA antagonists 百时美施贵宝公司 2023-12-05 CN disclosed
US-20230339884-A1 Triazole N-Linked Carbamoyl Cyclohexyl Acids as LPA Antagonists BRISTOL MYERS SQUIBB CO (US) 2023-10-26 US disclosed
US-11697646-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-11 US disclosed
EP-4011875-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2022-06-15 EP disclosed
EP-3710438-B1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-10-20 EP disclosed
US-11008300-B2 Triazole n-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 US disclosed
CN-112521368-A Triazole N-linked carbamoylcyclohexanoic acids as LPA antagonists 百时美施贵宝公司 2021-03-19 CN disclosed
CN-112189010-A Triazole N-linked carbamoylcyclohexanoic acids as LPA antagonists 百时美施贵宝公司 2021-01-05 CN disclosed
EP-3710438-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-09-23 EP disclosed
US-10662172-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-05-26 US disclosed
US-20200148665-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-05-14 US disclosed
US-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2019-06-20 US disclosed
EP-0003624-B1 PROCESS FOR THE PREPARATION OF THE METHYL ESTER OF 4-OXOPENTANE-1-CARBOXYLIC ACID STAMICARBON B.V. (NL) 1982-07-28 EP disclosed
EP-0003624-A1 Process for the preparation of the methyl ester of 4-oxopentane-1-carboxylic acid STAMICARBON B.V. (NL) 1979-08-22 EP 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 (6 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-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 ALDH1A1 3478/4885LMNA 1652/4885SLC15A2 2142/4885
US-10662172-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 ALDH1A1 3478/4885LMNA 1652/4885SLC15A2 2142/4885
US-20200148665-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 ALDH1A1 3478/4885LMNA 1652/4885SLC15A2 2142/4885
US-11697646-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 ALDH1A1 3478/4885LMNA 1652/4885SLC15A2 2142/4885
US-20230339884-A1 Triazole N-Linked Carbamoyl Cyclohexyl Acids as LPA Antagonists LPAR3, LPAR1, LPAR2 ALDH1A1 3478/4885LMNA 1652/4885SLC15A2 2142/4885
US-11008300-B2 Triazole n-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 ALDH1A1 3478/4885LMNA 1652/4885SLC15A2 2142/4885

“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.