SCHEMBL4915544

SCHEMBL4915544

COC(=O)C1Cc2cccc(S(=O)(=O)N(C)CCBr)c2C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
PPARD Q03181 1/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
ACHE P22303 3/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
F2 P00734 3/20 0.32
F10 P00742 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
SCHEMBL4910276 0.91 GSTO1 (0.37) KMT2AHTTPPARDCA1CA2
SCHEMBL4920245 0.81 ALDH1A1 (0.35) KMT2AHTTLMNAPOLBALDH1A1
SCHEMBL1471222 0.78 KMT2A (0.41) KMT2APPARDCA1CA2ACHE
SCHEMBL4916166 0.78 CA1 (0.43) KMT2APPARDCA1CA2ACHE
SCHEMBL4740697 0.78 KMT2A (0.41) KMT2APPARDCA1CA2ACHE
SCHEMBL1470495 0.78 KMT2A (0.41) KMT2APPARDCA1CA2ACHE
SCHEMBL14538800 0.77 KMT2A (0.39) KMT2APPARDCA1CA2ACHE
SCHEMBL4912719 0.75 PPARG (0.45) PPARDLMNAMAPTCYP1A2
SCHEMBL4013407 0.72 KMT2A (0.44) KMT2AHTTCA1CA2ACHE
SCHEMBL30967925 0.72 KMT2A (0.44) KMT2AHTTCA1CA2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287477-A1 Novel Compounds as Modulators of Ppar KALYPSYS, INC. (US) 2008-11-20 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-20080287477-A1 Novel Compounds as Modulators of Ppar PPARG, PPARA, PPARD KMT2A 4143/4885HTT 2813/4885PPARD 3/4885

“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.