Sugi Predict

Sugi Predict / Compounds / SCHEMBL20870531

SCHEMBL20870531

SCHEMBL20870531

CC(C)(C)Nc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)sc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.67
▸ KCNK2 O95069 1/20 0.40
▸ KCNK4 Q9NYG8 1/20 0.40
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SULT1A1 P50225 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL24832764 0.88 GPR35 (0.71) GPR35KCNK2KCNK4NPC1RAB9A
SCHEMBL12735466 0.88 GPR35 (0.71) GPR35KCNK2KCNK4NPC1RAB9A
SCHEMBL12652469 0.86 GPR35 (0.71) GPR35KCNK2KCNK4NPC1RAB9A
SCHEMBL17943796 0.86 GPR35 (0.71) GPR35KCNK2KCNK4NPC1RAB9A
SCHEMBL24832763 0.86 GPR35 (0.71) GPR35KCNK2KCNK4NPC1RAB9A
SCHEMBL12652654 0.85 GPR35 (0.67) GPR35KCNK2KCNK4NPC1RAB9A
SCHEMBL20870811 0.85 GPR35 (0.67) GPR35KCNK2KCNK4NPC1RAB9A
SCHEMBL19465487 0.84 GPR35 (0.71) GPR35KCNK2KCNK4NPC1RAB9A
SCHEMBL20362658 0.84 GPR35 (0.71) GPR35KCNK2KCNK4NPC1RAB9A
SCHEMBL12941097 0.83 GPR35 (0.67) GPR35KCNK2KCNK4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230008495-A1 NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 UNIV PARIS (FR) 2023-01-12 — — US disclosed
US-11407741-B2 Compounds and their use as selective inhibitors of caspase-2 Universite De Paris (FR) 2022-08-09 — — US disclosed
US-10961219-B2 Derivatives and their use as selective inhibitors of caspase-2 INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2021-03-30 — — US disclosed
US-20200317647-A1 NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 UNIVERSITÉ PARIS CITÉ (FR) 2020-10-08 — — US disclosed
US-20190100508-A1 NOVEL DERIVATIVES AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 UNIVERSITÉ PARIS CITÉ (FR) 2019-04-04 — — 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 (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-20230008495-A1 NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 CASP2, CASP1, CASP5 GPR35 4271/4885KCNK2 1792/4885KCNK4 2922/4885
US-20190100508-A1 NOVEL DERIVATIVES AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 CASP2, CASP1, CASP5 GPR35 4328/4885KCNK2 1833/4885KCNK4 2915/4885
US-10961219-B2 Derivatives and their use as selective inhibitors of caspase-2 CASP2, CASP1, CASP3 GPR35 4349/4885KCNK2 1997/4885KCNK4 3200/4885
US-20200317647-A1 NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 CASP2, CASP1, CASP5 GPR35 4271/4885KCNK2 1792/4885KCNK4 2922/4885
US-11407741-B2 Compounds and their use as selective inhibitors of caspase-2 CASP2, CASP1, CASP3 GPR35 4150/4885KCNK2 2177/4885KCNK4 3280/4885

“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.