Sugi Predict

Sugi Predict / Compounds / SCHEMBL427869

SCHEMBL427869

SCHEMBL427869

Cc1cc(C(=O)O)cnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.47
▸ NAPRT Q6XQN6 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ P4HA1 P13674 2/20 0.44
▸ P4HTM Q9NXG6 2/20 0.44
▸ MIF P14174 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SLC22A12 Q96S37 2/20 0.42
▸ MGAM O43451 1/20 0.42
▸ TPMT P51580 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HCAR3 P49019 1/20 0.39
▸ LDHA P00338 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
SCHEMBL13859498 0.84 KMT2A (0.40) NAPRTALDH1A1MAPK1SMN1; SMN2MEN1
SCHEMBL15500046 0.84 KCNQ3 (0.40) NAPRTALDH1A1MAPK1SMN1; SMN2MEN1
SCHEMBL18355568 0.79 GSK3B (0.41) ALDH1A1MAPK1SMN1; SMN2CYP2C19KMT2A
SCHEMBL336046 0.79 ATM (0.51) ALDH1A1MAPK1KDM4E
SCHEMBL30331909 0.79 ATM (0.51) ALDH1A1MAPK1KDM4E
SCHEMBL232290 0.79 HCAR2 (0.50) HCAR2NAPRTALDH1A1SMN1; SMN2P4HA1
SCHEMBL29365646 0.79 HCAR2 (0.50) HCAR2NAPRTALDH1A1SMN1; SMN2P4HA1
SCHEMBL846024 0.79 HCAR2 (0.50) HCAR2NAPRTALDH1A1P4HA1P4HTM
SCHEMBL2601852 0.78 HCAR2 (0.48) HCAR2ALDH1A1SMN1; SMN2P4HA1P4HTM
Hydrochloric Acid SCHEMBL7476482 0.78 HCAR2 (0.48) HCAR2NAPRTALDH1A1SMN1; SMN2P4HA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 — — US disclosed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP disclosed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN disclosed
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 — — US disclosed
CN-112898289-B Compounds for modulating FXR activity and uses thereof 甘莱制药有限公司 2022-11-04 — — CN disclosed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — WO disclosed
CN-112891348-B Use of phenyl isoxazolyl methylene-naphthalene-ether derivatives and pharmaceutical compositions 甘莱制药有限公司 2022-06-28 — — CN disclosed
CN-112891348-A Use and pharmaceutical composition of phenyl isoxazolyl methylene-naphthalene-ether derivatives 甘莱制药有限公司 2021-06-04 — — CN disclosed
CN-112898289-A Compounds for modulating FXR activity and uses thereof 甘莱制药有限公司 2021-06-04 — — CN disclosed
EP-2875005-B1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS INC (CN) 2020-11-11 — — EP disclosed
WO-2009109906-A1 PYRIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 — — WO disclosed
CN-101522670-A Pyridin-3-yl derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 — — CN disclosed
CN-101522618-A 3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 — — CN disclosed
EP-2079690-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 — — EP disclosed
EP-2069335-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 — — EP disclosed
WO-2009024905-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 — — WO disclosed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 — — WO disclosed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 — — WO disclosed
WO-2008029370-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 — — WO disclosed
WO-2008029370-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 — — 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 (2 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-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 HCAR2 1434/4885NAPRT 892/4885ALDH1A1 295/4885
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 HCAR2 2372/4885NAPRT 3455/4885ALDH1A1 4654/4885

“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.