Sugi Predict

Sugi Predict / Compounds / SCHEMBL5673175

SCHEMBL5673175

SCHEMBL5673175

Cc1nc(/C=C/C=O)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.46
▸ HDAC1 Q13547 4/20 0.41
▸ HDAC2 Q92769 4/20 0.41
▸ HDAC3 O15379 3/20 0.37
▸ HDAC4 P56524 3/20 0.37
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL5673184 1.00 GRM5 (0.46) GRM5HDAC1HDAC2HDAC3HDAC4
SCHEMBL1107430 0.79 — —
SCHEMBL21008783 0.78 HDAC3 (0.57) HDAC1HDAC2HDAC3HDAC4HDAC8
SCHEMBL3446831 0.77 — —
SCHEMBL22708306 0.77 — —
SCHEMBL12333167 0.77 — —
SCHEMBL1124090 0.73 HDAC1 (0.52) GRM5HDAC1HDAC2HDAC3HDAC4
SCHEMBL1124089 0.73 HDAC1 (0.52) GRM5HDAC1HDAC2HDAC3HDAC4
SCHEMBL22723723 0.72 GRM5 (0.46) GRM5HDAC1HDAC2HDAC3HDAC4
SCHEMBL22961526 0.72 GRM5 (0.46) GRM5HDAC1HDAC2

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
CN-116547281-A Isoxazolidines as RIPK1 inhibitors and uses thereof 赛诺菲 2023-08-04 — — CN disclosed
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-07-13 — — US disclosed
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-07-13 — — US disclosed
US-20060040990-A1 Epothilone derivatives, process for their production, and their pharmaceutical use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-02-23 — — US disclosed
US-7001916-B1 Epothilon derivatives, method for the production and the use thereof as pharmaceuticals SCHERING, AG (DE) 2006-02-21 — — US disclosed
EP-1161430-A2 EPOTHILON DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF AS PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2001-12-12 — — EP disclosed
WO-2000047584-A2 EPOTHILON DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF AS PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2000-08-17 — — 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-20060040990-A1 Epothilone derivatives, process for their production, and their pharmaceutical use PTGIS, PTGES, PTGES2 GRM5 2792/4885HDAC1 3925/4885HDAC2 4185/4885
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF RIPK1, RIPK4, RIPK2 GRM5 1718/4885HDAC1 859/4885HDAC2 1468/4885

“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.