SCHEMBL13659611

SCHEMBL13659611

CC(C)C(=O)c1sc2cc(F)ccc2c1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCKDK O14874 2/20 0.68
RAB9A P51151 4/20 0.56
KDM4E B2RXH2 1/20 0.55
SENP1 Q9P0U3 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 2/20 0.51
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
TLR3 O15455 1/20 0.51
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
PTGS1 P23219 1/20 0.50
MAOB P27338 1/20 0.50
CASP3 P42574 1/20 0.50
GPER1 Q99527 1/20 0.50
RECQL P46063 1/20 0.50
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
MCL1 Q07820 2/20 0.49
BCL2L1 Q07817 1/20 0.49

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
SCHEMBL13659612 0.90 BCKDK (0.54) BCKDKRAB9AKDM4ESENP1SMN1; SMN2
SCHEMBL13659630 0.84 MCL1 (0.70) BCKDKRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL2610278 0.83 BCKDK (0.74) BCKDKRAB9AKDM4ESENP1SMN1; SMN2
SCHEMBL2279755 0.81 BCKDK (0.77) BCKDKRAB9AKDM4ESENP1SMN1; SMN2
SCHEMBL594468 0.81 BCKDK (1.00) BCKDKRAB9AKDM4ESENP1SMN1; SMN2
SCHEMBL13659633 0.80 MCL1 (0.47) BCKDKRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL13659636 0.80 GPR35 (0.51) BCKDKRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL693146 0.79 BCKDK (0.68) BCKDKRAB9AKDM4ESENP1SMN1; SMN2
SCHEMBL8278999 0.79 BCKDK (0.68) BCKDKRAB9AKDM4ESENP1SMN1; SMN2
SCHEMBL13659606 0.78 MCL1 (0.65) RAB9AKDM4ESMN1; SMN2NPC1TP53

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.