Sugi Predict

Sugi Predict / Compounds / SCHEMBL219912

SCHEMBL219912

SCHEMBL219912

Nc1cc(F)c(I)cc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA3 P07451 1/20 0.34
▸ CA12 O43570 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ PTK2 Q05397 1/20 0.30

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
SCHEMBL28566129 0.89 ALDH1A1 (0.40) ALDH1A1CA1CA2CA9CA3
SCHEMBL19884912 0.86 PTK2 (0.39) ALDH1A1CA1CA2CA9CA3
SCHEMBL30391007 0.86 PTK2 (0.39) ALDH1A1CA1CA2CA9CA3
SCHEMBL14129494 0.82 CA1 (0.32) CA1CA2CA9CA3
SCHEMBL1099578 0.82 ALDH1A1 (0.53) ALDH1A1CA1CA2CA9CA12
SCHEMBL30788050 0.80 ALDH1A1 (0.36) ALDH1A1CA1CA2CA9CA3
SCHEMBL1093491 0.80 ALDH1A1 (0.36) ALDH1A1CA1CA2CA9CA3
Fluoride SCHEMBL31312733 0.78 ALDH1A1 (0.35) ALDH1A1CA1CA2CA9CA3
SCHEMBL31401806 0.77 GAA (0.43) ALDH1A1CA1CA2CA9CA3
SCHEMBL30759100 0.77 ALDH1A1 (0.36) ALDH1A1CA1CA2CA9CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4740942-A1 AROMATIC AMIDE DERIVATIVE AND USE THEREOF HUAJIAN FUTURE (CHENGDU) TECHNOLOGY CO., LTD. (CN) 2026-05-13 — — EP disclosed
EP-4619402-A1 GPR17 MODULATORS AND USES THEREOF Myrobalan Therapeutics, Inc. (US) 2025-09-24 — — EP disclosed
US-12280023-B2 Fluorophenyl beta-hydroxyethylamines and their use in the treatment of hyperglycaemia ATROGI AB (SE) 2025-04-22 — — US disclosed
CN-119613396-A Pyrrolo-heterocyclic-3-sulfonamide compounds and their use in the preparation of inhibitors of the GPR17 receptor 迈巴制药(南京)有限公司 2025-03-14 — — CN disclosed
CN-119613397-A N-heteroaromatic ring-3-sulfonamide compounds and use thereof for preparing GPR17 receptor inhibitors 迈巴制药(南京)有限公司 2025-03-14 — — CN disclosed
WO-2025007811-A1 AROMATIC AMIDE DERIVATIVE AND USE THEREOF 成都华健未来科技有限公司 2025-01-09 — — WO disclosed
CN-119144344-A Liquid crystal compound containing 2, 5-difluorobenzene alkyne, synthesis method and liquid crystal composition 西安近代化学研究所 2024-12-17 — — CN disclosed
CN-118930444-A Fluorophenyl beta-hydroxyethylamine and its use in the treatment of hyperglycaemia 阿托基公司 2024-11-12 — — CN disclosed
CN-111148731-B Fluorophenyl beta-hydroxyethylamine and its use in the treatment of hyperglycaemia 阿托基公司 2024-07-09 — — CN disclosed
WO-2024104462-A1 GPR17 MODULATORS AND USES THEREOF MYROBALAN THERAPEUTICS NANJING CO. LTD (CN) 2024-05-23 — — WO disclosed
EP-2091941-A2 MAPK/ERK KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2009-08-26 — — EP disclosed
WO-2008140553-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 — — WO disclosed
US-20080125437-A1 MAPK/ERK KINASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-29 — — US disclosed
EP-1861359-A1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN Pfizer, Inc. (US) 2007-12-05 — — EP disclosed
WO-2006097817-A9 N- (N-SULFONYLAMINOMETHYL) CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER JAPAN INC (JP) 2006-12-07 — — WO disclosed
WO-2006097817-A1 N- (N-SULFONYLAMINOMETHYL) CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER JAPAN INC. (JP) 2006-09-21 — — WO disclosed
US-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER, INC. 2006-09-21 — — US disclosed
EP-0581272-B1 Tolane derivatives, liquid crystal compositions containing the derivatives and liquid crystal display device using the compositions SEIKO EPSON CORP (JP) 1996-05-08 — — EP disclosed
US-5356558-A Compatibility, high speed response SEIKO EPSON CORPORATION (JP) 1994-10-18 — — US disclosed
EP-0581272-A1 Tolane derivatives, liquid crystal compositions containing the derivatives and liquid crystal display device using the compositions SEIKO EPSON CORPORATION (JP) 1994-02-02 — — 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 (3 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-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists CNR1, HVCN1, CNR2 ALDH1A1 1314/4885CA1 947/4885CA2 616/4885
US-12280023-B2 Fluorophenyl beta-hydroxyethylamines and their use in the treatment of hyperglycaemia GPR119, SLC5A2, SLC5A1 ALDH1A1 445/4885CA1 3170/4885CA2 3092/4885
US-20080125437-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 ALDH1A1 2921/4885CA1 4533/4885CA2 4124/4885

“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.