SCHEMBL14502091

SCHEMBL14502091

Cc1ccc(S(=O)(=O)CCCN2CCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.62
▸ CYP3A4 P08684 2/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ MBTD1 Q05BQ5 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ LOX P28300 2/20 0.56
▸ HRH1 P35367 1/20 0.55
▸ MAPK1 P28482 1/20 0.53
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MITF O75030 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ PAX8 Q06710 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.50
▸ HRH3 Q9Y5N1 2/20 0.49
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL11471530 0.88 MBTD1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19MBTD1
SCHEMBL11471531 0.87 MBTD1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19MBTD1
SCHEMBL14538078 0.86 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9CYP2C19MBTD1
SCHEMBL11532514 0.86 EPHX2 (0.60) ALDH1A1CYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL14304331 0.84 LOX (0.60) ALDH1A1CYP3A4CYP2C9MBTD1L3MBTL1
SCHEMBL2494859 0.84 SIGMAR1 (0.57) ALDH1A1MBTD1L3MBTL1LOXMEN1
SCHEMBL19274818 0.84 HRH3 (0.64) MBTD1L3MBTL1LOXHRH3
SCHEMBL14490130 0.83 MEN1 (0.55) ALDH1A1MBTD1L3MBTL1LOXMEN1
SCHEMBL11569125 0.81 MEN1 (0.57) ALDH1A1CYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL15434577 0.79 ALDH1A1 (0.62) ALDH1A1CYP3A4CYP2C9CYP2C19MBTD1

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-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 — — US disclosed
WO-2007056075-A2 SIX MEMBERED HETEROAROMATIC INHIBITORS TARGETING RESISTANT KINASE MUTATIONS TARGEGEN, INC. (US) 2007-05-18 — — 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-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR ALDH1A1 3322/4885CYP3A4 1786/4885CYP2C9 1652/4885

“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.

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