SCHEMBL21784040

SCHEMBL21784040

CCCC(C)c1csc(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.46
SREBF2 Q12772 2/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 4/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
AR P10275 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL398143 0.87 CTSK (0.48) CTSKSREBF2HPGDRAB9ALMNA
SCHEMBL5535547 0.84 CTSK (0.44) CTSKSREBF2HPGDRAB9ALMNA
SCHEMBL62767 0.80 SREBF2 (0.50) CTSKSREBF2HPGDRAB9ALMNA
SCHEMBL24435682 0.79 SREBF2 (0.46) CTSKSREBF2HPGDRAB9ALMNA
SCHEMBL10770603 0.77 CTSK (0.50) CTSKSREBF2HPGDRAB9ALMNA
SCHEMBL2091893 0.77 SREBF2 (0.47) CTSKSREBF2HPGDRAB9ALMNA
SCHEMBL16746841 0.74 CTSK (0.51) CTSKRAB9AKDM4EKMT2ASMN1; SMN2
SCHEMBL14853242 0.74 CTSK (0.43) CTSKSREBF2HPGDRAB9ALMNA
SCHEMBL13510008 0.74 HDAC1 (0.45) CTSKHPGDRAB9ALMNAKDM4E
SCHEMBL10445184 0.73 CTSK (0.53) CTSKSREBF2HPGDRAB9ALMNA

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-10959986-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-30 US disclosed
US-20200069646-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL MYERS SQUIBB CO (US) 2020-03-05 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 (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-10959986-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT CTSK 1525/4885SREBF2 2661/4885HPGD 151/4885
US-20200069646-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT CTSK 1525/4885SREBF2 2661/4885HPGD 151/4885

“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.