SCHEMBL3983602

SCHEMBL3983602

CCOc1cccc(N)c1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
GRM5 P41594 1/20 0.47
GAA P10253 5/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 2/20 0.47
GLA P06280 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
KMT2A Q03164 1/20 0.46
CFTR P13569 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL6900910 0.88 CA12 (0.53) ALDH1A1GRM5GAAHSD17B10HPGD
SCHEMBL6469761 0.83 ALDH1A1 (0.56) ALDH1A1GAAHSD17B10HPGDGLA
SCHEMBL10880239 0.83 ALDH1A1 (0.56) ALDH1A1GAAHSD17B10HPGDGLA
SCHEMBL12218679 0.83 ALDH1A1 (0.42) ALDH1A1GAAHSD17B10HPGDKDM4E
SCHEMBL1129317 0.83 CA12 (0.55) ALDH1A1GAAHSD17B10HPGDKDM4E
SCHEMBL19064581 0.82 CA12 (0.67) ALDH1A1GRM5GAAHSD17B10HPGD
SCHEMBL21543727 0.82 HCRTR1 (0.51) ALDH1A1GRM5GAAHSD17B10HPGD
Hydrochloric Acid SCHEMBL10919807 0.81 CA12 (0.53) ALDH1A1GAAHSD17B10HPGDKDM4E
SCHEMBL20239604 0.81 LMNA (0.46) ALDH1A1GRM5GAAHSD17B10HPGD
SCHEMBL6904588 0.81 GAA (0.50) ALDH1A1GAAHSD17B10HPGDGLA

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-7491718-B2 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES (US) 2009-02-17 US disclosed
EP-1549613-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY Abbott Laboratories (US) 2005-07-06 EP disclosed
US-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity ABBVIE INC. 2004-08-26 US disclosed
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES 2004-08-12 US disclosed
WO-2004033419-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY ABBOTT LABORATORIES (US) 2004-04-22 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 (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-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP ALDH1A1 3463/4885GRM5 2798/4885GAA 1250/4885
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP ALDH1A1 3463/4885GRM5 2798/4885GAA 1250/4885

“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.