SCHEMBL5364296

SCHEMBL5364296

CS(=O)(=O)c1cc(O)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
ENPP2 Q13822 1/20 0.45
POLB P06746 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PTGS1 P23219 1/20 0.42
AR P10275 1/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
GAA P10253 2/20 0.39
GFER P55789 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
CNR2 P34972 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6528607 0.87 GAA (0.44) HPGDGAAALDH1A1PKML3MBTL1
SCHEMBL1657155 0.83 HSD17B10 (0.48) HSD17B10ENPP2POLBCA12CA1
SCHEMBL15880643 0.81 HSD17B10 (0.50) HSD17B10POLBCA12CA1CA2
SCHEMBL10422867 0.81 HSD17B10 (0.50) HSD17B10POLBCA12CA1CA2
Hydrochloric Acid SCHEMBL28299767 0.79 POLB (0.49) HSD17B10POLBCA12CA1CA2
SCHEMBL3275593 0.78 PTGS1 (0.61) HSD17B10ENPP2POLBCA12CA1
SCHEMBL31239603 0.78 MCL1 (0.56) LMNAHPGDGAAALDH1A1L3MBTL1
SCHEMBL4589791 0.78 MCL1 (0.56) LMNAHPGDGAAALDH1A1L3MBTL1
SCHEMBL31623389 0.77 L3MBTL1 (0.59) HSD17B10CA1CA2LMNAHPGD
SCHEMBL10224545 0.77 L3MBTL1 (0.44) HSD17B10POLBLMNAGAAALDH1A1

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-7205409-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 US disclosed
WO-2005023762-A1 PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2005-03-17 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-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 HSD17B10 621/4885ENPP2 975/4885POLB 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.