SCHEMBL3318223

SCHEMBL3318223

C=CCC(CCCC)S(=O)(=O)OCCOS(=O)(=O)C(CC=C)CCCC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.37
CA1 P00915 12/20 0.37
CA9 Q16790 9/20 0.36
CA12 O43570 4/20 0.35
CA7 P43166 4/20 0.35
CA14 Q9ULX7 4/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
TSHR P16473 5/20 0.32
HPGD P15428 2/20 0.31
RECQL P46063 2/20 0.31
GLA P06280 1/20 0.31
MAPK1 P28482 1/20 0.31
EPHX2 P34913 1/20 0.31
BLM P54132 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL15825362 0.80 TSHR (0.36) CA2CA1TSHRHPGDMAPK1
SCHEMBL11652838 0.78 TSHR (0.34) TSHRALDH1A1
SCHEMBL8458904 0.77 MMP1 (0.35) CA2CA1TSHRALDH1A1
SCHEMBL88231 0.77 TP53 (0.37) CA2TSHRHPGDRECQLMAPK1
SCHEMBL3365927 0.77 CA2 (0.36) CA2CA1CA9CA12CA7
SCHEMBL368530 0.77 TSHR (0.33) TSHRALDH1A1
SCHEMBL28797789 0.76 CA1 (0.54) CA2CA1CA9CA12CA7
Ammonia Solution, Strong SCHEMBL27883467 0.76 CA1 (0.54) CA2CA1CA9CA12CA7
SCHEMBL7125310 0.75 MMP1 (0.34) TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL1646990 0.75 TP53 (0.36) CA2TSHRHPGDRECQLMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS ACKERMANN JEAN 2010-05-27 US disclosed
US-7696200-B2 Bicyclic sulfonamide derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1996563-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-12-03 EP disclosed
WO-2007093507-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-16 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-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 CA2 680/4885CA1 1406/4885CA9 2005/4885
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 CA2 680/4885CA1 1406/4885CA9 2005/4885

“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.