SCHEMBL3463923

SCHEMBL3463923

CCOc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)OC)ccc1OC(C)C

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 19/20 0.69
▸ F3 P13726 10/20 0.69
▸ F10 P00742 12/20 0.62
▸ F2 P00734 11/20 0.62
▸ PRSS1 P07477 9/20 0.62
▸ PRSS2 P07478 4/20 0.62
▸ PRSS3 P35030 4/20 0.62
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ F11 P03951 1/20 0.46

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
SCHEMBL3463836 0.91 F7 (0.74) F7F3F10F2PRSS1
Hydrochloric Acid SCHEMBL3463027 0.90 F7 (0.73) F7F3F10F2PRSS1
SCHEMBL5571330 0.89 F7 (0.73) F7F3F10F2PRSS1
SCHEMBL13613719 0.89 F7 (0.56) F7F3F10F2PRSS1
Hydrochloric Acid SCHEMBL3463119 0.88 F7 (0.72) F7F3F10F2PRSS1
SCHEMBL13162282 0.88 F7 (0.72) F7F3F10F2PRSS1
SCHEMBL13162301 0.87 F7 (0.66) F7F3F10F2PRSS1
SCHEMBL3463945 0.87 F7 (0.65) F7F3F10F2PRSS1
SCHEMBL13162297 0.87 F7 (0.70) F7F3F10F2PRSS1
SCHEMBL13162315 0.87 F7 (0.65) F7F3F10F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 — — US disclosed
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 — — US disclosed
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 — — US disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 — — US disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 — — US disclosed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 — — US disclosed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 — — US disclosed
EP-1856096-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2007-11-21 — — EP disclosed
EP-1810965-A1 HYDRAZIDE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2007-07-25 — — EP disclosed
EP-1810965-A1 HYDRAZIDE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2007-07-25 — — EP disclosed
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 — — US disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 — — 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-20100240654-A1 HYDRAZIDE DERIVATIVES H1-10, H1-4, H1-3 F7 185/4885F3 9/4885F10 11/4885
US-20080132507-A1 Hydrazide Derivatives H1-10, H1-4, H1-3 F7 185/4885F3 9/4885F10 11/4885
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 F7 35/4885F3 20/4885F10 43/4885

“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.

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