SCHEMBL12357238

SCHEMBL12357238

COC(=O)c1sc(-c2ccccc2)cc1NCc1ccc(-c2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPT P10636 5/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CACNA1G O43497 1/20 0.48
▸ CACNA1B Q00975 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HPGD P15428 4/20 0.47
▸ TP53 P04637 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL2157913 0.90 ALDH1A1 (0.47) KDM4EALDH1A1MAPTCACNA1GCACNA1B
SCHEMBL14947250 0.87 POLB (0.58) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL2158560 0.74 PRMT1 (0.39) KDM4EALDH1A1MAPTCACNA1GCACNA1B
SCHEMBL1199181 0.73 CYP1A2 (0.77) KDM4EALDH1A1CACNA1GCACNA1BCYP1A2
SCHEMBL24131786 0.73 KDM4E (0.56) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL13715912 0.72 MAPT (0.50) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL2879066 0.71 KDM4E (0.60) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL3637614 0.71 FRK (0.48) KDM4EALDH1A1MAPTCACNA1GCACNA1B
SCHEMBL2157496 0.70 MAPT (0.76) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL23452097 0.70 NPSR1 (0.56) KDM4EALDH1A1MAPTLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-18 — — 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

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 KDM4E 3220/4885ALDH1A1 684/4885MAPT 1458/4885
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS KDM4E 3220/4885ALDH1A1 684/4885MAPT 1458/4885

“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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