SCHEMBL6603341

SCHEMBL6603341

Nc1cccc2sc(C(=O)N3CCSCC3)cc12

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 10/20 0.67
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
RAB9A P51151 2/20 0.45
HPGD P15428 2/20 0.45
HRH4 Q9H3N8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL18889269 0.80 RIPK1 (1.00) RIPK1ALDH1A1POLB
SCHEMBL3255241 0.75 BCL2L1 (0.53)
SCHEMBL6616703 0.74 ALDH1A1 (0.51) RIPK1ALDH1A1POLBRAB9AHPGD
SCHEMBL5585055 0.73 ALDH1A1 (0.74) RIPK1ALDH1A1POLBRAB9AHPGD
SCHEMBL18932242 0.73 RIPK1 (0.56) RIPK1ALDH1A1POLBRAB9AHPGD
SCHEMBL5584452 0.70 RIPK1 (0.67) RIPK1ALDH1A1POLBRAB9AHPGD
SCHEMBL12353720 0.70 ALDH1A1 (0.78) RIPK1ALDH1A1POLBHRH4L3MBTL1
SCHEMBL828815 0.70 ALDH1A1 (0.51) ALDH1A1POLBHPGDKDM4E
SCHEMBL29749510 0.70 ALDH1A1 (0.51) ALDH1A1POLBHPGDKDM4E
SCHEMBL18889213 0.69 RIPK1 (0.65) RIPK1ALDH1A1POLBRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins PIERRE FABRE MEDICAMENT (FR) 2004-10-14 US disclosed
EP-1395581-A2 NOVEL BENZOTHIENYL OR INDOLE DERIVATIVES, PREPARATION AND USE THEREOF AS INHIBITORS OF PRENYL TRANSFERASE PROTEINS PIERRE FABRE MEDICAMENT (FR) 2004-03-10 EP disclosed
WO-2002098852-A2 NOVEL BENZOTHIENYL OR INDOLE DERIVATIVES, AND USE THEREOF AS INHIBITORS OF PRENYL TRANSFERASE PROTEINS PIERRE FABRE MEDICAMENT (FR) 2002-12-12 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 (1 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-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins CBR1, CBR3, HCCS RIPK1 4340/4885ALDH1A1 2558/4885POLB 4034/4885

“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.