Sugi Predict

Sugi Predict / Compounds / SCHEMBL21807935

SCHEMBL21807935

SCHEMBL21807935

Cn1ncc(Br)c1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HTT P42858 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL31362961 0.81 ALDH1A1 (0.35) CYP1A2CYP2C19KMT2A
SCHEMBL4813243 0.81 CYP1A2 (0.59) CYP1A2CYP2C19HTTSMN1; SMN2LMNA
SCHEMBL31362989 0.80 GABRG2 (0.35) CYP1A2CYP2C19HTTLMNAHPGD
SCHEMBL24553896 0.78 HTT (0.50) CYP1A2CYP2C19HTTSMN1; SMN2LMNA
SCHEMBL1357879 0.78 HTT (0.50) CYP1A2CYP2C19HTTSMN1; SMN2LMNA
SCHEMBL29153875 0.78 GABRA1 (0.34) CYP1A2CYP2C19HTTSMN1; SMN2LMNA
SCHEMBL28950678 0.77 NPC1 (0.36) CYP1A2CYP2C19SMN1; SMN2POLBMEN1
SCHEMBL16177307 0.77 SMN1; SMN2 (0.51) CYP1A2CYP2C19HTTSMN1; SMN2LMNA
SCHEMBL29153839 0.76 GABRA1 (0.34) CYP1A2CYP2C19HTTSMN1; SMN2LMNA
SCHEMBL30753653 0.76 GABRA1 (0.34) CYP1A2CYP2C19HTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12209072-B2 Cyclopentyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-01-28 — — US disclosed
CN-112055710-B As LPA antagonists Cyclohexylacid pyrazole azine 百时美施贵宝公司 2025-01-28 — — CN disclosed
US-11980609-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-05-14 — — US disclosed
US-11976083-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-05-07 — — US disclosed
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 — — CN disclosed
EP-4337641-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2024-03-20 — — EP disclosed
CN-117295717-A LPA receptor antagonists and uses thereof 吉利德科学公司 2023-12-26 — — CN disclosed
EP-3728222-B1 CYCLOHEXYL ACID PYRAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-03-29 — — EP disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 — — EP disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 — — US disclosed
US-20220411405-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2022-12-29 — — US disclosed
WO-2022240879-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2022-11-17 — — WO disclosed
US-11312706-B2 Cyclohexyl acid pyrazole azines as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-26 — — US disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 — — WO disclosed
CN-113473985-A Cyclopentanoic acid as LPA antagonist 百时美施贵宝公司 2021-10-01 — — CN disclosed
EP-3852746-A1 CYCLOPENTYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2021-07-28 — — EP disclosed
US-20210087178-A1 CYCLOHEXYL ACID PYRAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-03-25 — — US disclosed
CN-112055710-A Cyclohexyl acid pyrazole azines as LPA antagonists 百时美施贵宝公司 2020-12-08 — — CN disclosed
EP-3728222-A1 CYCLOHEXYL ACID PYRAZOLE AZINES AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-10-28 — — EP disclosed
WO-2020060915-A1 CYCLOPENTYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-26 — — 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 (7 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-12209072-B2 Cyclopentyl acids as LPA antagonists LPAR1, LPAR5, LPAR2 CYP1A2 1516/4885CYP2C19 2426/4885HTT 2765/4885
US-11976083-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 CYP1A2 3908/4885CYP2C19 4410/4885HTT 3084/4885
US-20210087178-A1 CYCLOHEXYL ACID PYRAZOLE AZINES AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 CYP1A2 1679/4885CYP2C19 2387/4885HTT 3019/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 CYP1A2 3908/4885CYP2C19 4410/4885HTT 3084/4885
US-11980609-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 CYP1A2 3563/4885CYP2C19 4462/4885HTT 4544/4885
US-11312706-B2 Cyclohexyl acid pyrazole azines as LPA antagonists LPAR3, LPAR1, LPAR2 CYP1A2 1679/4885CYP2C19 2387/4885HTT 3019/4885
US-20220411405-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR4 CYP1A2 3563/4885CYP2C19 4462/4885HTT 4544/4885

“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.