SCHEMBL2158409

SCHEMBL2158409

O=C(O)c1sc(-c2ccccc2)cc1N(CC1CCN(C(=O)O)CC1)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.36
▸ SLC6A12 P48065 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ PRSS12 P56730 1/20 0.35
▸ S1PR1 P21453 1/20 0.35

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
SCHEMBL3134583 0.91 MAPT (0.40) NPY1RSLC6A12
SCHEMBL2158000 0.90 EPHX2 (0.36) NPY1RSLC6A12CYP3A4
SCHEMBL2157463 0.89 SMN1; SMN2 (0.41) CYP3A4PRSS12
SCHEMBL2157539 0.88 CHRM1 (0.43) —
SCHEMBL2158448 0.85 NPY1R (0.38) NPY1RSLC6A12
SCHEMBL3811676 0.84 SLC6A12 (0.35) NPY1RSLC6A12CYP3A4PRSS12
SCHEMBL12395525 0.83 SMN1; SMN2 (0.39) CYP3A4
SCHEMBL2878555 0.83 CYP3A4 (0.38) CYP3A4
SCHEMBL2157419 0.82 NPY1R (0.36) NPY1R
SCHEMBL2157585 0.82 MCHR1 (0.34) NPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329924-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-12-11 — — US disclosed
US-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-18 — — US disclosed
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 — — US disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 — — US disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 — — US disclosed
EP-1401825-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION Shire Biochem Inc. (CA) 2004-03-31 — — EP disclosed
WO-2002100851-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION SHIRE BIOCHEM INC. (CA) 2002-12-19 — — 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-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS NPY1R 4376/4885SLC6A12 1208/4885CYP3A4 622/4885
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS NPY1R 4376/4885SLC6A12 1208/4885CYP3A4 622/4885

“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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