SCHEMBL2052856

SCHEMBL2052856

CCOC(=O)c1[nH]c2ccc(Cl)c(F)c2c1[PH](=O)c1cc(C)c(C)c(C=CC#N)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 0.33
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CYP1A2 P05177 1/20 0.32
XBP1 P17861 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
TP53 P04637 2/20 0.31
GAA P10253 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 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
SCHEMBL2004538 0.88 MAP2 (0.40) MAP2
SCHEMBL2052858 0.88 ALOX15 (0.33) ALOX15MAPTALDH1A1HPGDKDM4E
SCHEMBL2052855 0.88 ALOX15 (0.33) ALOX15MAPTALDH1A1HPGDKDM4E
SCHEMBL2048040 0.76 ALDH1A1 (0.44) ALOX15MAPTALDH1A1HPGDKDM4E
SCHEMBL2004540 0.76 MAP2 (0.40) MAP2
SCHEMBL2004536 0.76 MAP2 (0.40) MAP2
SCHEMBL14116072 0.74 MAP2 (0.40) MAP2
SCHEMBL2007066 0.72 MAP2 (0.42) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL12228545 0.68 ALOX15 (0.34) ALOX15MAPTALDH1A1HPGDKDM4E
SCHEMBL2048041 0.67 ALDH1A1 (0.44) ALOX15MAPTALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486991-B2 Enantiomerically pure phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
US-20110257129-A1 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS, INC. 2011-10-20 US disclosed
US-7960428-B2 (2-carbamoyl-5-chloro-1H-indol-3-yl)-[3-((E)-2-cyano-vinyl)-5-methyl-phenyl]-(S)-phosphinic acid methyl ester; Flaviviruses; bioavailability; pharmacokinetics IDENIX PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20080213217-A1 Enantiomerically pure phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. 2008-09-04 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-20110257129-A1 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS DUSP3, PNP, PPP5C ALOX15 3379/4885MAPT 525/4885ALDH1A1 3509/4885
US-20080213217-A1 Enantiomerically pure phosphoindoles as HIV inhibitors DUSP3, PNP, PPP5C ALOX15 3379/4885MAPT 525/4885ALDH1A1 3509/4885

“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.