SCHEMBL16637582

SCHEMBL16637582

Cc1ccc(S(=O)(=O)OCCC2(O)COC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
STAT3 P40763 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.37
PSMD10 O75832 1/20 0.35
KMT2A Q03164 2/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MMP13 P45452 2/20 0.35
MMP1 P03956 1/20 0.35

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
SCHEMBL10436324 0.87 KMT2A (0.39) CA12CA1CA9STAT3CYP3A4
SCHEMBL9465547 0.86 STAT3 (0.42) CA12CA1CA9STAT3CYP3A4
SCHEMBL2562490 0.86 CYP3A4 (0.48) CA12CA1CA9STAT3CYP3A4
SCHEMBL20898576 0.85 STAT3 (0.41) CA12CA1CA9STAT3CYP3A4
SCHEMBL21618212 0.85 CA12 (0.42) CA12CA1CA9STAT3CYP3A4
SCHEMBL19106783 0.84 CA12 (0.41) CA12CA1CA9STAT3CYP3A4
SCHEMBL2024618 0.84 KMT2A (0.42) CA12CA1CA9STAT3CYP3A4
SCHEMBL9466282 0.82 KMT2A (0.45) CA12CA1CA9STAT3CYP3A4
SCHEMBL6873871 0.80 ALDH1A1 (0.40) CA12CA1CA9STAT3ALDH1A1
SCHEMBL2798912 0.80 ALDH1A1 (0.41) CA12CA1CA9CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055288-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-12-16 EP disclosed
US-9932311-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
US-9932311-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
US-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-07-21 US disclosed
US-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-07-21 US disclosed
US-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-07-21 US disclosed
WO-2016112088-A1 ARYLOXYACETYLINDOLES AND ANALOGS AS ANTIBIOTIC TOLERANCE INHIBITORS SPERO THERAPEUTICS, INC. (US) 2016-07-14 WO disclosed
WO-2016112088-A1 ARYLOXYACETYLINDOLES AND ANALOGS AS ANTIBIOTIC TOLERANCE INHIBITORS SPERO THERAPEUTICS, INC. (US) 2016-07-14 WO disclosed
WO-2015051496-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015051725-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015051496-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO 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-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR55 CA12 4125/4885CA1 4624/4885CA9 4095/4885

“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.