SCHEMBL21066869

SCHEMBL21066869

CC(c1ccc(Br)c(Cl)c1)[SH](=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 5/20 0.39
SLC6A3 Q01959 5/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2D6 P10635 4/20 0.39
KCNH2 Q12809 4/20 0.39
POLB P06746 1/20 0.36
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
LMNA P02545 4/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
HSD17B10 Q99714 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL9967734 0.82 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL27810411 0.76 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL11635625 0.76 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL16958712 0.75 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL20995244 0.75 ADRB2 (0.50) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL29372886 0.75 ADRB2 (0.50) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL14967003 0.75 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL18854471 0.75 ADRB2 (0.50) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL2522805 0.74 TRPV4 (0.50) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL17891846 0.73 PTGS1 (0.55) KMT2AMEN1MAPT

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-11339142-B2 Di-substituted pyrazole compounds for the treatment of diseases FGH BIOTECH, INC. (US) 2022-05-24 US disclosed
US-20190194167-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES FGH BIOTECH, INC. 2019-06-27 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-11339142-B2 Di-substituted pyrazole compounds for the treatment of diseases SREBF1, SREBF2, CYP27A1 SLC6A2 4701/4885SLC6A4 4407/4885SLC6A3 4502/4885
US-20190194167-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES SREBF1, SREBF2, CYP27A1 SLC6A2 4701/4885SLC6A4 4407/4885SLC6A3 4502/4885

“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.