Sugi Predict

Sugi Predict / Compounds / SCHEMBL2491753

SCHEMBL2491753

SCHEMBL2491753

O=C(CCl)c1ccc(Cl)cc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ HIF1A Q16665 1/20 0.67
▸ GSK3B P49841 3/20 0.48
▸ CYP11B2 P19099 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ ACKR3 P25106 1/20 0.42
▸ ERCC5 P28715 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP11B1 P15538 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL29924651 1.00 ALDH1A1 (0.67) ALDH1A1MAPK1HIF1AGSK3BCYP11B2
SCHEMBL8022080 0.83 KCNH2 (0.49) ALDH1A1MAPK1HIF1ACYP11B2SMN1; SMN2
SCHEMBL3918063 0.83 GSK3B (0.50) ALDH1A1MAPK1HIF1AGSK3BCYP11B2
SCHEMBL30217466 0.83 GSK3B (0.50) ALDH1A1MAPK1HIF1AGSK3BCYP11B2
SCHEMBL29993560 0.83 KCNH2 (0.49) ALDH1A1MAPK1HIF1ACYP11B2SMN1; SMN2
SCHEMBL2597507 0.82 CES2 (0.61) ALDH1A1MAPK1HIF1ASMN1; SMN2ACKR3
Hydrochloric Acid SCHEMBL3248105 0.81 CYP3A4 (0.46) ALDH1A1MAPK1HIF1ACYP11B2SMN1; SMN2
SCHEMBL23152719 0.81 CES2 (0.59) ALDH1A1MAPK1HIF1ASMN1; SMN2ACKR3
SCHEMBL1691536 0.80 ALDH1A1 (1.00) ALDH1A1MAPK1HIF1AGSK3BSMN1; SMN2
SCHEMBL29481555 0.80 ALDH1A1 (1.00) ALDH1A1MAPK1HIF1AGSK3BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360109-A1 CYCLOALKENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2024-10-31 — — US disclosed
EP-4382525-A1 CYCLOALKENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-06-12 — — EP disclosed
CN-117751110-A Cycloolefin derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-03-22 — — CN disclosed
CN-117177970-A Polycyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-05 — — CN disclosed
WO-2023011539-A1 CYCLOALKENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-02-09 — — WO disclosed
EP-3489231-B1 PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2021-06-09 — — EP disclosed
US-10710988-B2 Piperazine derivative ASTELLAS PHARMA INC. (JP) 2020-07-14 — — US disclosed
EP-3333165-B1 PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2019-09-18 — — EP disclosed
US-20190202815-A1 PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2019-07-04 — — US disclosed
EP-3489231-A1 PIPERAZINE DERIVATIVE Astellas Pharma Inc. (JP) 2019-05-29 — — EP disclosed
US-10301286-B2 Piperazine derivative ASTELLAS PHARMA INC. (JP) 2019-05-28 — — US disclosed
EP-3333165-A1 PIPERAZINE DERIVATIVE Astellas Pharma Inc. (JP) 2018-06-13 — — EP disclosed
WO-2014020531-A1 IMIDAZO[1,2-B]PYRIDAZIN-6-AMINE DERIVATIVES AS KINASE JAK-2 INHIBITORS CELON PHARMA S.A. (PL) 2014-02-06 — — WO disclosed
CN-102260172-B Method for preparing 2-chloro-5-alkylcarbonyl acetyl-4-fluorophenoxyacetyl compound SHANDONG CYNDA CHEMICAL GROUP CO LTD 2013-11-06 — — CN disclosed
EP-2379557-B1 AMINO PYRAZOLE COMPOUND LILLY CO ELI (US) 2012-10-31 — — EP disclosed
EP-2379557-A1 AMINO PYRAZOLE COMPOUND Eli Lilly and Company (US) 2011-10-26 — — EP disclosed
US-7897600-B2 Amino pyrazole compound ELI LILLY AND COMPANY (US) 2011-03-01 — — US disclosed
US-20100286139-A1 AMINO PYRAZOLE COMPOUND ELI LILLY AND COMPANY (US) 2010-11-11 — — US disclosed
WO-2010074947-A1 AMINO PYRAZOLE COMPOUND ELI LILLY AND COMPANY (US) 2010-07-01 — — WO disclosed
US-20100152181-A1 AMINO PYRAZOLE COMPOUND ELI LILLY AND COMPANY (US) 2010-06-17 — — 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 (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-20100286139-A1 AMINO PYRAZOLE COMPOUND MCL1, MYC, PML ALDH1A1 2620/4885MAPK1 866/4885HIF1A 3551/4885
US-10710988-B2 Piperazine derivative GPR4, MC4R, TRPC4 ALDH1A1 2792/4885MAPK1 2770/4885HIF1A 3734/4885
US-20240360109-A1 CYCLOALKENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF CYP51A1, FAR1, CYP46A1 ALDH1A1 1750/4885MAPK1 3317/4885HIF1A 2719/4885
US-10301286-B2 Piperazine derivative GPR4, MC4R, TRPC4 ALDH1A1 2695/4885MAPK1 2578/4885HIF1A 2948/4885
US-20100152181-A1 AMINO PYRAZOLE COMPOUND MCL1, MYC, PML ALDH1A1 2620/4885MAPK1 866/4885HIF1A 3551/4885
US-20190202815-A1 PIPERAZINE DERIVATIVE GPR4, MC4R, TRPC4 ALDH1A1 2792/4885MAPK1 2770/4885HIF1A 3734/4885

“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.