Sugi Predict

Sugi Predict / Compounds / SCHEMBL16008609

SCHEMBL16008609

SCHEMBL16008609

C=Cc1cccc(F)c1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CES2 O00748 2/20 0.42
▸ CES1 P23141 2/20 0.42
▸ BDKRB1 P46663 8/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KRAS P01116 1/20 0.38

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
SCHEMBL29931004 1.00 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL851494 0.85 ERN1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL1070351 0.82 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL13954078 0.81 CA1 (0.69) CA12CA1CA2CA7CA9
SCHEMBL8074147 0.81 CA1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL15570103 0.80 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL16008634 0.80 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL28042991 0.79 CES2 (0.48) CA12CA1CA2CA7CA9
SCHEMBL28347585 0.79 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL23523310 0.77 CA12 (0.52) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-27 — — US disclosed
EP-4310089-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-01-24 — — EP disclosed
EP-4310089-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-01-24 — — EP disclosed
CN-116981670-A Polycyclic compound containing nitrogen heterocycle, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-10-31 — — CN disclosed
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. 2023-03-09 — — US disclosed
US-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors ESCAPE Bio, Inc. (US) 2022-08-30 — — US disclosed
EP-3997081-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS Escape Bio, Inc. (US) 2022-05-18 — — EP disclosed
CN-114450274-A Indazoles and azaindazoles as LRRK2 inhibitors 伊斯凯普生物公司 2022-05-06 — — CN disclosed
CN-107735401-B Substituted dihydropyrrolopyrazole derivatives 宇部兴产株式会社 2021-08-31 — — CN disclosed
US-10894798-B2 Substituted dihydropyrrolopyrazole derivative UBE INDUSTRIES, LTD. (JP) 2021-01-19 — — US disclosed
US-9402841-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 — — US disclosed
CN-105481864-A Modulators of 5-HT receptors and methods of use thereof ABBOTT GMBH & CO KG ABBOTT LAB 2016-04-13 — — CN disclosed
EP-2970202-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2016-01-20 — — EP disclosed
CN-102712643-B Modulators of 5-HT receptors and methods of use thereof ABBVIE (US) 2015-12-16 — — CN disclosed
WO-2014164558-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-09 — — WO disclosed
WO-2014164558-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-09 — — WO disclosed
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-11 — — US disclosed
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-11 — — US disclosed
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-11 — — US disclosed
CN-102712643-A Modulators of 5-HT receptors and methods of use thereof ABBOTT LAB 2012-10-03 — — 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 (5 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-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors LRRK2, PARK7, GDI2 CA12 4879/4885CA1 4855/4885CA2 4811/4885
US-10894798-B2 Substituted dihydropyrrolopyrazole derivative QDPR, CYP11B2, CYP4F3 CA12 3634/4885CA1 3470/4885CA2 1158/4885
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 CA12 4879/4885CA1 4855/4885CA2 4811/4885
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 CA12 4865/4885CA1 4734/4885CA2 4207/4885
US-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF HCRTR1, HCRTR2, CCKBR CA12 2465/4885CA1 1375/4885CA2 2416/4885

“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.