SCHEMBL13659612

SCHEMBL13659612

CC(C)C(=O)c1sc2ccc(F)cc2c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCKDK O14874 1/20 0.54
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 1/20 0.44
SENP1 Q9P0U3 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
TLR3 O15455 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
MCL1 Q07820 2/20 0.41
PTGS1 P23219 1/20 0.40
MAOB P27338 1/20 0.40
CASP3 P42574 1/20 0.40
GPER1 Q99527 1/20 0.40
PRNP P04156 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL13659611 0.90 BCKDK (0.68) BCKDKRAB9AKDM4ESENP1TLR3
SCHEMBL31126911 0.85 TRPM8 (0.42) BCKDKRAB9AKDM4ETRPM8PTGS1
SCHEMBL1255148 0.83 BCKDK (0.58) BCKDKRAB9AKDM4ESENP1SMN1; SMN2
SCHEMBL14293108 0.83 BCKDK (0.58) BCKDKRAB9AKDM4ESENP1SMN1; SMN2
SCHEMBL13659606 0.80 MCL1 (0.65) RAB9AKDM4ESMN1; SMN2NPC1TP53
SCHEMBL13659636 0.78 GPR35 (0.51) BCKDKRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL28965823 0.76 BCKDK (0.45) BCKDKRAB9AKDM4ESENP1TLR3
SCHEMBL13659630 0.76 MCL1 (0.70) BCKDKRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL13659633 0.72 MCL1 (0.47) BCKDKRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL12678220 0.72 BCKDK (0.38) BCKDKRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247513-A1 BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
US-7329765-B2 Benzothiophene compounds having antiinfective activity GENESOFT PHARMACEUTICALS, INC. (US) 2008-02-12 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 (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-20090247513-A1 BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY TOP2A, TOP1, TOP2B BCKDK 3231/4885RAB9A 4107/4885KDM4E 2334/4885

“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.