SCHEMBL6826375

SCHEMBL6826375

CSc1ccc(C(=C(c2ccc(S)cc2)c2ccc(S)cc2)c2ccc(S)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.45
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 7/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
HAO1 Q9UJM8 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB1 P19838 2/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36

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
SCHEMBL487511 0.85
SCHEMBL15006707 0.83 PLK1 (0.52) PLK1MEN1KMT2AALDH1A1HPGD
SCHEMBL8488034 0.81 HPGD (0.57) PLK1MEN1KMT2AALDH1A1HPGD
SCHEMBL8487719 0.81 PLK1 (0.50) PLK1MEN1KMT2AALDH1A1HPGD
SCHEMBL4654392 0.80 IDO1 (0.42) MEN1KMT2AHAO1TSHRCYP3A4
SCHEMBL8487223 0.79 PTGS2 (0.48) PLK1MEN1KMT2AALDH1A1HPGD
SCHEMBL17365268 0.78 ALDH1A1 (0.41) PLK1ALDH1A1HPGDNOS3NOS1
SCHEMBL21186097 0.78 ALDH1A1 (0.41) PLK1ALDH1A1NOS3NOS1HAO1
SCHEMBL8487721 0.78 PLK1 (0.47) PLK1MEN1KMT2AALDH1A1HPGD
SCHEMBL6311986 0.73 CYP1A1 (0.59) MEN1KMT2AALDH1A1LMNAMAPT

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-6740782-B2 SUCH AS CLATHRATE 1,1,2,2-TETRAKIS(4-CHLOROSULFONYL-PHENYL)ETHYLENE; FOR IMPROVED PERFORMANCE DURING SEPARATION OF SUBSTANCES, CHEMICAL STABILIZATION, NON-VOLATILIZATION, SUSTAINED RELEASE, AND PULVERIZATION NIPPON SODA CO., LTD. (JP) 2004-05-25 US disclosed
US-20030130358-A1 Such as clathrate 1,1,2,2-tetrakis(4-chlorosulfonyl-phenyl)ethylene; for improved performance during separation of substances, chemical stabilization, non-volatilization, sustained release, and pulverization NIPPON SODA CO., LTD. (JP) 2003-07-10 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-20030130358-A1 Such as clathrate 1,1,2,2-tetrakis(4-chlorosulfonyl-phenyl)ethylene; for improved performance during separation of substances, chemical stabilization, non-volatilization, sustained release, and pulverization CBS, CCT4, TST PLK1 3645/4885MEN1 2242/4885KMT2A 3175/4885

“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.