SCHEMBL2120359

SCHEMBL2120359

COC(=O)c1ccc(N)cc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
CA12 O43570 5/20 0.52
CA9 Q16790 5/20 0.52
GAA P10253 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
PDK2 Q15119 1/20 0.42
BRD4 O60885 2/20 0.42
CYP1A1 P04798 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP3A43 Q9HB55 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.40
DRD2 P14416 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL3160688 0.87 CA12 (0.53) CA1CA2CA12CA9CYP2D6
SCHEMBL3161624 0.86 CA12 (0.49) CA1CA2CA12CA9CYP2D6
SCHEMBL17959004 0.86 CA12 (0.49) CA1CA2CA12CA9CYP2D6
SCHEMBL3150744 0.86 CA12 (0.49) CA1CA2CA12CA9GAA
SCHEMBL3020849 0.86 CA12 (0.51) CA1CA2CA12CA9CYP2D6
SCHEMBL3198347 0.85 CA12 (0.51) CA1CA2CA12CA9CYP2D6
SCHEMBL3166123 0.84 MAPT (0.49) CA1CA2CA12CA9GAA
SCHEMBL5201135 0.84 MAPT (0.49) CA1CA2CA12CA9GAA
SCHEMBL3898684 0.84 CA12 (0.53) CA1CA2CA12CA9CYP2D6
SCHEMBL7401274 0.84 CA12 (0.55) CA1CA2CA12CA9PDK2

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-20210070747-A1 2(1H)-QUINOLINONE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-03-11 US disclosed
EP-3604281-A1 2(1H)-QUINOLINONE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2020-02-05 EP disclosed
EP-2566872-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-12-24 EP disclosed
EP-2566872-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-12-24 EP disclosed
US-8741884-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-03 US disclosed
US-8741884-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-03 US disclosed
EP-2566872-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-03-13 EP disclosed
US-20120093767-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-20120093767-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
WO-2011139513-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 WO disclosed
WO-2011139513-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 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-20120093767-A1 Compounds for the Treatment of Hepatitis C HAVCR2, SLC10A1, HCCS CA1 4446/4885CA2 4355/4885CA12 1886/4885
US-20210070747-A1 2(1H)-QUINOLINONE DERIVATIVE TOP2A, TOP2B, TOP1 CA1 4064/4885CA2 1393/4885CA12 4198/4885

“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.