SCHEMBL979181

SCHEMBL979181

COc1cc(N2CCOCC2)c2oc(=O)c(C(=O)O)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 10/20 0.52
SLC16A3 O15427 3/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA3 P07451 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
CYP1A2 P05177 1/20 0.47
PKM P14618 1/20 0.46
BACE1 P56817 1/20 0.46
CA4 P22748 1/20 0.46
APP P05067 1/20 0.45

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
SCHEMBL980086 0.83 CYP1A2 (0.55) GPR35SLC16A3CA12CA1CA2
SCHEMBL21224437 0.75 PRKDC (0.41) KDM4EALDH1A1HPGD
SCHEMBL28288792 0.73 SMN1; SMN2 (0.56) KDM4EALDH1A1HPGDPKM
SCHEMBL31425997 0.70 PRKDC (0.46)
SCHEMBL29385947 0.70 SLC16A3 (0.61) GPR35SLC16A3CA12CA1CA2
SCHEMBL17701048 0.68 SLC16A3 (1.00) GPR35SLC16A3CA12CA1CA3
SCHEMBL28923666 0.68 MAPT (0.67) KDM4EALDH1A1HPGD
SCHEMBL29963204 0.67 KDM4E (1.00) GPR35SLC16A3CA12CA1CA2
SCHEMBL978456 0.67 KDM4E (1.00) GPR35SLC16A3CA12CA1CA2
SCHEMBL31541849 0.67 TBK1 (0.45) KDM4EALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 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-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 GPR35 4234/4885SLC16A3 4315/4885CA12 3622/4885

“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.