Sugi Predict

Sugi Predict / Compounds / SCHEMBL3064091

SCHEMBL3064091

SCHEMBL3064091

CSc1ccc(C(=O)Cl)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.68
▸ LIG1 P18858 1/20 0.68
▸ PLAU P00749 1/20 0.57
▸ DAO P14920 2/20 0.38
▸ NR1D1 P20393 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ POLB P06746 2/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HSD17B1 P14061 2/20 0.32
▸ HSD17B2 P37059 2/20 0.32

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
SCHEMBL9373389 0.81 PKM (0.70) PKMLIG1PLAUDAONR1D1
SCHEMBL2723219 0.81 PKM (1.00) PKMLIG1PLAUDAOHPGD
SCHEMBL996669 0.77 DAO (0.44) PKMLIG1DAOALDH1A1HPGD
SCHEMBL26054440 0.76 PKM (0.63) PKMLIG1PLAUDAONR1D1
SCHEMBL28120120 0.75 PKM (0.61) PKMLIG1PLAUNR1D1ALDH1A1
SCHEMBL16879111 0.75 PKM (0.61) PKMLIG1PLAUDAONR1D1
SCHEMBL1340077 0.73 — —
SCHEMBL5982145 0.72 PLAU (1.00) PKMLIG1PLAU
SCHEMBL13753878 0.72 PKM (0.58) PKMLIG1PLAUNR1D1ALDH1A1
SCHEMBL13753593 0.72 PKM (0.58) PKMLIG1PLAUALDH1A1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023074408-A1 THIOPHENE COMPOUND, METHOD FOR SYNTHESIZING SAME, AND COMPOSITION CONTAINING SAID THIOPHENE COMPOUND 四国化成工業株式会社 2023-05-04 — — WO disclosed
WO-2015103527-A1 MODULATORS OF REV-ERB THE SCRIPPS RESEARCH INSTITUTE (US) 2015-07-09 — — WO disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 — — US disclosed
WO-2013033310-A1 MODULATORS OF REV-ERB KAMENECKA THEODORE MARK (US) 2013-03-07 — — WO disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 — — US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 — — US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 — — 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 (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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PKM 1944/4885LIG1 825/4885PLAU 4487/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PKM 1944/4885LIG1 825/4885PLAU 4487/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PKM 1944/4885LIG1 825/4885PLAU 4487/4885

“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.