Sugi Predict

Sugi Predict / Compounds / SCHEMBL24634985

SCHEMBL24634985

SCHEMBL24634985

C=C(C(=O)c1ccc(C)cc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.44
▸ CES1 P23141 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 3/20 0.34
▸ ELANE P08246 1/20 0.34
▸ PKM P14618 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ NLRP1 Q9C000 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NTSR1 P30989 1/20 0.33

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
SCHEMBL2968544 0.81 ALDH1A1 (0.41) CES2CES1ALDH1A1LMNATDP1
SCHEMBL24634976 0.77 CES2 (0.54) CES2CES1ALDH1A1LMNATDP1
SCHEMBL8634275 0.73 CES2 (0.58) CES2CES1ALDH1A1LMNATDP1
SCHEMBL27032752 0.71 HDAC6 (0.33) —
SCHEMBL24634990 0.71 NPC1 (0.45) CES2CES1ALDH1A1LMNATDP1
SCHEMBL14384381 0.70 PAX8 (0.50) ALDH1A1LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL1008034 0.69 MT-CO2 (0.39) CES2CES1ALDH1A1LMNATDP1
SCHEMBL318720 0.69 TDP1 (0.59) CES2CES1ALDH1A1LMNATDP1
SCHEMBL21401590 0.68 MT-CO2 (0.47) CES2CES1ALDH1A1LMNATDP1
SCHEMBL13389759 0.68 ALDH1A1 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357218-A1 N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF HANGZHOU WESTAN PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2023-11-09 — — US disclosed
US-20230357218-A1 N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF HANGZHOU WESTAN PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2023-11-09 — — US disclosed
CN-113214240-B N-formamido pyrazoline derivative as P2X3 receptor antagonist and application thereof 杭州维坦医药科技有限公司 2022-12-06 — — CN disclosed
EP-4079725-A1 N-CARBOXAMIDOPYRAZOLINE DERIVATIVE SERVING AS P2X3 RECEPTOR ANTAGONIST AND APPLICATIONS Hangzhou Westan Pharmaceutical Technology Co., Ltd. (CN) 2022-10-26 — — EP disclosed
CN-113214240-A N-formamido pyrazoline derivative as P2X3 receptor antagonist and application thereof 杭州维坦医药科技有限公司 2021-08-06 — — CN disclosed
CN-111892585-A N-formamido pyrazoline derivative as P2X3 receptor antagonist and application thereof 杭州维坦医药科技有限公司 2020-11-06 — — 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 (1 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-20230357218-A1 N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF P2RX3, P2RX4, P2RX7 CES2 3388/4885CES1 2820/4885ALDH1A1 2422/4885

“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.