SCHEMBL12372056

SCHEMBL12372056

CC(C)CCC(C=O)C(=O)N(c1cc(-c2ccccc2)sc1C(=O)O)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PTPRF P10586 2/20 0.36
▸ PTPN1 P18031 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PTPRA P18433 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
SCHEMBL12372020 0.78 KDM4E (0.40) KDM4EMAPTMEN1NPC1ALDH1A1
SCHEMBL12464228 0.77 MAPT (0.48) KDM4EMAPTMEN1NPC1ALDH1A1
SCHEMBL27592383 0.74 ALDH1A1 (0.43) KDM4EMAPTMEN1NPC1ALDH1A1
SCHEMBL3812086 0.73 MAPT (0.46) KDM4EMAPTMEN1NPC1ALDH1A1
SCHEMBL3814563 0.72 KDM4E (0.43) KDM4EMAPTNPC1RAB9ARXFP1
SCHEMBL3122605 0.71 MAPT (0.47) KDM4EMAPTMEN1NPC1ALDH1A1
SCHEMBL2158190 0.71 RORB (0.40) MAPTPTPRFPTPN1
SCHEMBL13715849 0.71 MAPT (0.44) KDM4EMAPTMEN1NPC1ALDH1A1
SCHEMBL2158509 0.71 ACLY (0.45) MAPT
SCHEMBL2455643 0.71 — —

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 3220/4885MAPT 1458/4885MEN1 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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