SCHEMBL3235660

SCHEMBL3235660

CS(=O)(=O)CC1(c2ccc(N)cc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP19A1 P11511 5/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ CYP11A1 P05108 1/20 0.36
▸ TBXAS1 P24557 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SLC6A3 Q01959 6/20 0.36
▸ SLC6A4 P31645 5/20 0.36
▸ DPP4 P27487 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 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
SCHEMBL14347796 0.86 SMN1; SMN2 (0.41) ALDH1A1L3MBTL1POLBCYP3A4GAA
SCHEMBL14347817 0.82 SMN1; SMN2 (0.44) ALDH1A1L3MBTL1CYP3A4GAASLC6A3
SCHEMBL3220574 0.79 CA12 (0.39) ALDH1A1CYP19A1CYP3A4GAACA12
SCHEMBL14348163 0.78 SMN1; SMN2 (0.39) ALDH1A1L3MBTL1CYP3A4GAAF10
SCHEMBL5642501 0.74 SLC6A4 (0.42) ALDH1A1L3MBTL1POLBSLC6A3SLC6A4
SCHEMBL6014515 0.73 ALDH1A1 (0.47) ALDH1A1L3MBTL1POLBSLC6A3SLC6A4
SCHEMBL6014572 0.73 POLB (0.45) ALDH1A1L3MBTL1POLBCYP19A1CYP3A4
SCHEMBL5645600 0.71 HSD11B1 (0.46) ALDH1A1L3MBTL1POLBSLC6A3SLC6A4
SCHEMBL10577936 0.71 DPP4 (0.67) ALDH1A1L3MBTL1SLC6A3SLC6A4DPP4
SCHEMBL2321584 0.70 SLC6A3 (0.46) ALDH1A1L3MBTL1POLBSLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — 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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 ALDH1A1 2134/4885L3MBTL1 3769/4885POLB 2748/4885

“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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