SCHEMBL12697376

SCHEMBL12697376

CCOC(=O)c1c(C)occ(O)c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.46
RECQL P46063 2/20 0.46
MITF O75030 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.43

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
SCHEMBL12472666 0.79 NPC1 (0.47) CA1CA2KDM4ENPC1RAB9A
SCHEMBL3021187 0.79 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL10811729 0.77 CYP3A4 (0.38) CA12CA1CA2CA7CA9
SCHEMBL19349218 0.76 SMN1; SMN2 (0.40) CA12CA1CA2CA7CA9
SCHEMBL1176806 0.74 ALDH1A1 (0.64) CA12CA1CA2CA7CA9
SCHEMBL19331380 0.72 MMP2 (0.37) NPC1RAB9AMAOBALDH1A1
SCHEMBL19331053 0.72 KMT2A (0.45) CA9KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL9223224 0.72 ALDH1A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL10188373 0.71 MAOB (0.57) CA12CA1CA2CA7CA9
SCHEMBL11625089 0.71 CA12 (0.49) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-01-12 US disclosed
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-01-12 US disclosed
US-20190106398-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-11 US disclosed
US-20190106398-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-11 US disclosed
WO-2017156194-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-09-14 WO disclosed
WO-2017156194-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-09-14 WO disclosed
US-20150218120-A1 HIV INTEGRASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-06 US disclosed
US-20150218120-A1 HIV INTEGRASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-06 US disclosed
US-20140142137-A1 HIV INTEGRASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (US) 2014-05-22 US disclosed
US-20140142137-A1 HIV INTEGRASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (US) 2014-05-22 US disclosed
WO-2012106534-A2 HIV INTEGRASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-09 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 (4 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-20190106398-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE POLRMT, RNASE1, POLM CA12 1088/4885CA1 564/4885CA2 1228/4885
US-20140142137-A1 HIV INTEGRASE INHIBITORS IMPDH1, TYMP, IMPA1 CA12 4800/4885CA1 4808/4885CA2 4752/4885
US-20150218120-A1 HIV INTEGRASE INHIBITORS IMPDH1, TYMP, IMPA1 CA12 4800/4885CA1 4808/4885CA2 4752/4885
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease POLRMT, RNASE1, POLM CA12 1088/4885CA1 564/4885CA2 1228/4885

“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.