SCHEMBL6431276

SCHEMBL6431276

CC(C)(C)OC(=O)N1CCCC(N(C(=O)c2ccc(Cl)cc2Cl)c2cc(-c3ccccc3)sc2C(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.43
▸ USP30 Q70CQ3 5/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ AHCY P23526 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ UCHL1 P09936 1/20 0.38
▸ NR1D1 P20393 1/20 0.37
▸ KAT7 O95251 1/20 0.37
▸ KAT8 Q9H7Z6 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGDS O60760 1/20 0.37

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
SCHEMBL6426599 0.95 USP30 (0.47) ACKR3USP30MEN1KMT2AAHCY
SCHEMBL6429324 0.94 MEN1 (0.49) ACKR3USP30MEN1KMT2AUCHL1
SCHEMBL2158008 0.91 MEN1 (0.52) USP30MEN1KMT2AGPR119
SCHEMBL2158079 0.89 PPARA (0.35) ALDH1A1
SCHEMBL3811287 0.88 MEN1 (0.34) ACKR3USP30MEN1KMT2AUCHL1
SCHEMBL3808918 0.85 MEN1 (0.37) USP30MEN1KMT2AUCHL1GPR119
SCHEMBL3814662 0.85 MEN1 (0.37) USP30MEN1KMT2AGPR119
SCHEMBL6446818 0.84 MEN1 (0.38) ACKR3USP30MEN1KMT2AAHCY
SCHEMBL2157419 0.84 NPY1R (0.36) MEN1KMT2AALDH1A1
SCHEMBL2158394 0.84 MEN1 (0.52) USP30MEN1KMT2ATP53MAPT

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-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 — — US 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-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

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 ACKR3 3057/4885USP30 2735/4885MEN1 3052/4885
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS ACKR3 3057/4885USP30 2735/4885MEN1 3052/4885

“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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