SCHEMBL7348907

SCHEMBL7348907

Cc1cc(OCCNC(=O)OC(C)(C)C)ccc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.60
CA1 P00915 5/20 0.60
CA2 P00918 5/20 0.60
CA9 Q16790 5/20 0.60
PDK2 Q15119 1/20 0.53
CYP1A2 P05177 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 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
SCHEMBL13306448 0.90 CA12 (0.63) CA12CA1CA2CA9PDK2
SCHEMBL21601451 0.89 CA12 (0.62) CA12CA1CA2CA9PDK2
SCHEMBL29653203 0.87 CA12 (0.60) CA12CA1CA2CA9PDK2
SCHEMBL12651234 0.87 CA12 (0.60) CA12CA1CA2CA9PDK2
SCHEMBL7374302 0.87 CA12 (0.52) CA12CA1CA2CA9PDK2
SCHEMBL19782825 0.86 CA12 (0.59) CA12CA1CA2CA9PDK2
SCHEMBL21017935 0.86 CA1 (0.64) CA12CA1CA2CA9PDK2
SCHEMBL21601185 0.85 CA12 (0.57) CA12CA1CA2CA9PDK2
SCHEMBL21601198 0.84 CA12 (0.60) CA12CA1CA2CA9PDK2
SCHEMBL19783401 0.84 CA12 (0.57) CA12CA1CA2CA9PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
US-5932582-A Fibrinogen receptor antagonist prodrugs MERCK & CO., INC. (US) 1999-08-03 US disclosed
EP-0912513-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
WO-1998000401-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO., INC. (US) 1998-01-08 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 (3 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 CA12 3794/4885CA1 3155/4885CA2 2280/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 CA12 3728/4885CA1 2630/4885CA2 1774/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 CA12 3794/4885CA1 3155/4885CA2 2280/4885

“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.