SCHEMBL7942259

SCHEMBL7942259

CN(C(=O)O)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.43
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA3 P07451 2/20 0.42
TYR P14679 2/20 0.42
CA4 P22748 2/20 0.42
CA5A P35218 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
DRD1 P21728 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
HSP90AA1 P07900 2/20 0.42
PDK2 Q15119 2/20 0.42
PDK1 Q15118 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
CRHBP P24387 1/20 0.41

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
SCHEMBL12550506 0.83 HSP90AA1 (0.47) APPCA2CA12CA1CA3
SCHEMBL11788282 0.83 HDAC1 (0.44) HPGDALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL1981807 0.81 SMN1; SMN2 (0.53) APPCA2CA12CA1CA3
SCHEMBL2089214 0.81 ALDH1A1 (0.52) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL455438 0.80 KMT2A (0.53) CA2CA12CA1CA9LMNA
SCHEMBL9263725 0.79 APP (0.42) APPCA2CA12CA1CA3
SCHEMBL3818789 0.79 HPGD (0.37) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2097717 0.79 TPMT (0.44) APPCA2CA1HPGDALDH1A1
SCHEMBL2095645 0.79 ALDH1A1 (0.44) CA2CA1HPGDLMNAALDH1A1
SCHEMBL692996 0.79 ALDH1A1 (0.48) HPGDLMNAALDH1A1MEN1KMT2A

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-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
EP-3060554-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2016-08-31 EP disclosed
WO-2015061518-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-30 WO disclosed
US-6242245-B1 DELIGNIFICATION BY ADDING SUSPENSION OF LACCASE, OXIDANT, MEDIATOR SUCH AS VIOLURIC ACID, AND XYLANASE TO AQUEOUS SUSPENSION OF LIGNIN MATERIAL AND MIXING; MEDIATOR DOES NOT DEACTIVATE ENZYME Consortium für elektrochemische Industrie GmbH (DE) 2001-06-05 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-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR1E, POLR1G APP 3897/4885CA2 4718/4885CA12 4791/4885
US-10035760-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR1G, POLR1E APP 3897/4885CA2 4748/4885CA12 4817/4885

“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.