Sugi Predict

Sugi Predict / Compounds / SCHEMBL4740697

SCHEMBL4740697

SCHEMBL4740697

COC(=O)[C@H]1Cc2cccc(S(=O)(=O)Cl)c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.41
▸ PPARD Q03181 1/20 0.39
▸ F2 P00734 3/20 0.36
▸ F10 P00742 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MTNR1A P48039 3/20 0.35
▸ MTNR1B P49286 3/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ ANPEP P15144 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ ACHE P22303 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA6 P23280 1/20 0.34

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
SCHEMBL1471222 1.00 KMT2A (0.41) KMT2APPARDF2F10PKM
SCHEMBL1470495 1.00 KMT2A (0.41) KMT2APPARDF2F10PKM
SCHEMBL4916166 0.86 CA1 (0.43) KMT2APPARDF2F10PKM
SCHEMBL14538800 0.83 KMT2A (0.39) KMT2APPARDF2F10PKM
SCHEMBL2073043 0.82 PPARD (0.46) KMT2APPARDF2F10MAPT
SCHEMBL2073041 0.82 PPARD (0.46) KMT2APPARDF2F10MAPT
SCHEMBL2073038 0.82 PPARD (0.46) KMT2APPARDF2F10MAPT
SCHEMBL1339793 0.81 KMT2A (0.46) KMT2AF2F10PKMMTNR1A
SCHEMBL4915544 0.78 KMT2A (0.35) KMT2APPARDF2F10ALDH1A1
SCHEMBL20308946 0.78 PPARD (0.53) KMT2APPARDPKMALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9463189-B2 Sulfonyl-substituted bicyclic compounds as PPAR modulators for the treatment of non-alcoholic steatohepatitis BPV HOLDINGS, LLC (US) 2016-10-11 — — US disclosed
US-20130252970-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF NON-ALCOHOLIC STEATOHEPATITIS KALYPSYS, INC. (US) 2013-09-26 — — US disclosed
WO-2008091863-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF NON-ALCOHOLIC STEATOHEPATITIS KALYPSYS, INC. (US) 2008-07-31 — — WO disclosed
US-20080176861-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF NON-ALCOHOLIC STEATOHEPATITIS KALYPSYS, INC. (US) 2008-07-24 — — 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-20080176861-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF NON-ALCOHOLIC STEATOHEPATITIS PPARD, PPARG, PPARA KMT2A 2765/4885PPARD 1/4885F2 3760/4885
US-20130252970-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF NON-ALCOHOLIC STEATOHEPATITIS PPARD, PPARG, PPARA KMT2A 2765/4885PPARD 1/4885F2 3760/4885

“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.