SCHEMBL5638801

SCHEMBL5638801

CCc1c(Br)ccc(SC)c1-c1ccon1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
MDM2 Q00987 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6998200 0.81 GAA (0.33) GAA
SCHEMBL5640472 0.81 GAA (0.41) GAAMDM2KDM4EMAPT
SCHEMBL6383834 0.79 TP53 (0.38) CYP1A2CYP2D6CYP2C19CYP19A1CYP2C9
SCHEMBL5640101 0.78 ALDH1A1 (0.38) RAB9AKDM4EALDH1A1MAPT
SCHEMBL5639859 0.77 GAA (0.39) GAACYP1A2CYP2D6CYP2C19CYP19A1
SCHEMBL6995475 0.74 ALDH1A1 (0.35) ALDH1A1MAPT
SCHEMBL5638232 0.69
SCHEMBL5637074 0.66 GAA (0.36) GAAMDM2KDM4E
SCHEMBL6384929 0.62 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C19CYP19A1CYP2C9
SCHEMBL6383214 0.62 MDM2 (0.37) GAACYP1A2CYP2D6CYP2C19CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301034-B2 Preparation of -4-thioalkybrobenzene derivatives BASF AKTIENGESELLSCHAFT (DE) 2007-11-27 US claimed
EP-1301469-B1 PREPARATION OF 4-THIOALKYLBROMOBENZENE DERIVATIVES BASF AG (DE) 2006-06-21 EP claimed
US-20030149276-A1 Preparation of -4-thioalkybrobenzene derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-08-07 US claimed
US-7301034-B2 Preparation of -4-thioalkybrobenzene derivatives BASF AKTIENGESELLSCHAFT (DE) 2007-11-27 US disclosed
EP-1301469-B1 PREPARATION OF 4-THIOALKYLBROMOBENZENE DERIVATIVES BASF AG (DE) 2006-06-21 EP disclosed
US-20030149276-A1 Preparation of -4-thioalkybrobenzene derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-08-07 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-20030149276-A1 Preparation of -4-thioalkybrobenzene derivatives CBR1, CBR3, AOC3 GAA 4487/4885CYP1A2 253/4885CYP2D6 144/4885

“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.