SCHEMBL12386972

SCHEMBL12386972

COC(=O)C(Cc1cccc(C(=N)N)c1)C(C)NC(=O)c1ccc(-c2cccc(CN)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 1.00
PRSS1 P07477 18/20 1.00
F2 P00734 7/20 0.86
PLG P00747 1/20 0.84
TMPRSS2 O15393 1/20 0.76

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
SCHEMBL12521569 0.88 F10 (1.00) F10PRSS1F2PLGTMPRSS2
SCHEMBL10072203 0.88 F10 (1.00) F10PRSS1F2PLGTMPRSS2
SCHEMBL12589582 0.88 F10 (1.00) F10PRSS1F2PLGTMPRSS2
SCHEMBL15489295 0.87 F10 (1.00) F10PRSS1F2PLGTMPRSS2
SCHEMBL14542917 0.87 F10 (0.86) F10PRSS1F2PLGTMPRSS2
SCHEMBL13160832 0.87 F10 (1.00) F10PRSS1F2PLGTMPRSS2
SCHEMBL19222680 0.87 F10 (0.86) F10PRSS1F2PLGTMPRSS2
Otamixaban SCHEMBL12447697 0.86 F10 (1.00) F10PRSS1F2PLGTMPRSS2
Otamixaban SCHEMBL52983 0.86 F10 (1.00) F10PRSS1F2PLGTMPRSS2
Otamixaban SCHEMBL29426323 0.86 F10 (1.00) F10PRSS1F2PLGTMPRSS2

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-8877908-B2 Stimulus-responsive apta chelamers THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2014-11-04 US disclosed
US-8877908-B2 Stimulus-responsive apta chelamers THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2014-11-04 US disclosed
US-20110190483-A1 Stimulus-Responsive Apta Chelamers THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2011-08-04 US disclosed
US-20110190483-A1 Stimulus-Responsive Apta Chelamers THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2011-08-04 US disclosed
WO-2010006238-A2 STIMULUS-RESPONSIVE APTA-CHELAMERS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2010-01-14 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 (1 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-20110190483-A1 Stimulus-Responsive Apta Chelamers CNBP, CREB1, ATF4 F10 1302/4885PRSS1 1854/4885F2 2603/4885

“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.