SCHEMBL2106586

SCHEMBL2106586

CCC(CCC(C)=O)n1cncn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.34
CYP26A1 O43174 4/20 0.34
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 3/20 0.33
CYP3A4 P08684 2/20 0.32
ACHE P22303 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL22365110 0.79 CYP19A1 (0.36) MAPTCYP26A1KMT2ACYP19A1CYP3A4
SCHEMBL20981285 0.71 CYP19A1 (0.38) MAPTCYP26A1HSP90AA1KMT2ACYP19A1
SCHEMBL20870634 0.70 ALDH1A1 (0.30) ALDH1A1CYP19A1
SCHEMBL7104933 0.69 MAPT (0.39) MAPTALDH1A1EGLN3HSP90AA1KMT2A
SCHEMBL16653883 0.69 CYP19A1 (0.36) MAPTHSP90AA1KMT2ACYP19A1CYP3A4
SCHEMBL2754295 0.68 MAPT (0.44) MAPTEGLN3HSP90AA1KMT2ACYP19A1
SCHEMBL10900677 0.68 MAPT (0.44) MAPTALDH1A1EGLN3HSP90AA1KMT2A
SCHEMBL6470267 0.67
SCHEMBL24996569 0.67 ADRB2 (0.33) CYP26A1CYP19A1CYP3A4CYP2C9
SCHEMBL9366536 0.66 CYP19A1 (0.39) MAPTALDH1A1EGLN3CYP26A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674118-B2 Compounds and methods for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-18 US disclosed
EP-1879879-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2013-03-27 EP disclosed
EP-2546246-A2 Compounds and methods for the treatment or prevention of flavivirus infections Virochem Pharma Inc. (CA) 2013-01-16 EP disclosed
EP-2543664-A1 Compounds and methods for the treatment or prevention of flavivirus infections Virochem Pharma Inc. (CA) 2013-01-09 EP disclosed
US-20120164103-A1 Compounds and Methods for the Treatment or Prevention of Flavivirus Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-06-28 US disclosed
US-8158675-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-04-17 US disclosed
US-20100093775-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2010-04-15 US disclosed
US-7569600-B2 Compounds and methods for the treatment of prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2009-08-04 US disclosed
EP-1879879-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Virochem Pharma Inc. (CA) 2008-01-23 EP disclosed
US-20060276533-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-12-07 US disclosed
WO-2006119646-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2006-11-16 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-20120164103-A1 Compounds and Methods for the Treatment or Prevention of Flavivirus Infections ZC3HAV1, YBX1, HAX1 MAPT 1308/4885ALDH1A1 693/4885EGLN3 881/4885
US-20100093775-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS ZC3HAV1, YBX1, HAX1 MAPT 1308/4885ALDH1A1 693/4885EGLN3 881/4885
US-20060276533-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, YBX1, HAX1 MAPT 1308/4885ALDH1A1 693/4885EGLN3 881/4885

“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.