SCHEMBL2158446

SCHEMBL2158446

Cc1ccc(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)O)C(C)C)c(C)c1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2158072 0.90 KDM4E (0.42) KDM4ENPC1POLBMAPTRAB9A
SCHEMBL2158614 0.89 — —
SCHEMBL2157675 0.89 KDM4E (0.41) KDM4ENPC1POLBMAPTRAB9A
SCHEMBL2455643 0.89 — —
SCHEMBL2157574 0.88 IKBKB (0.41) —
SCHEMBL3814563 0.87 KDM4E (0.43) KDM4ENPC1POLBMAPTRAB9A
SCHEMBL2157540 0.86 KDM4E (0.39) KDM4ENPC1POLBMAPTRAB9A
SCHEMBL3807341 0.86 KDM4E (0.39) KDM4ENPC1POLBMAPTRAB9A
SCHEMBL2157888 0.86 — —
SCHEMBL2158728 0.86 HSD17B1 (0.43) KDM4ENPC1POLBMAPTRAB9A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-18 — — US claimed
EP-2206709-A2 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2010-07-14 — — EP claimed
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 — — EP claimed
CN-100509797-C Thiophene derivatives as antiviral agents against flavivirus infections VIRUS CHEM PHARMA INC (CA) 2009-07-08 — — CN claimed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 — — US claimed
CN-1602308-A Thiophene derivatives as antiviral agents against flavivirus infections VIRUS CHEM PHARMA INC (CA) 2005-03-30 — — CN claimed
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-05-16 — — US disclosed
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-05-16 — — US disclosed
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-05-16 — — US disclosed
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-8329924-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-12-11 — — US disclosed
US-8329924-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-12-11 — — US disclosed
EP-2363396-A1 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2011-09-07 — — EP disclosed
EP-2206709-A2 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2010-07-14 — — EP disclosed
CN-101624391-A Thiophene derivatives as antiviral agents for flavivirus infection VIROCHEM PHARMA INC 2010-01-13 — — CN disclosed
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 — — EP disclosed
CN-100509797-C Thiophene derivatives as antiviral agents against flavivirus infections VIRUS CHEM PHARMA INC (CA) 2009-07-08 — — CN 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
CN-1602308-A Thiophene derivatives as antiviral agents against flavivirus infections VIRUS CHEM PHARMA INC (CA) 2005-03-30 — — CN 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-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS KDM4E 3220/4885NPC1 30/4885POLB 2949/4885
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS KDM4E 3220/4885NPC1 30/4885POLB 2949/4885
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS KDM4E 3220/4885NPC1 30/4885POLB 2949/4885

“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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