SCHEMBL13534697

SCHEMBL13534697

CSc1cccc(P(C)(C)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 2/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 1/20 0.37
GRM4 Q14833 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL13536659 0.89 IDO1 (0.41) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL11697473 0.82 MEN1 (0.41) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL11657502 0.79 MEN1 (0.37) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL83808 0.74 MAPT (0.47) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL23434973 0.73 ALDH1A1 (0.44) HPGDALDH1A1TSHR
SCHEMBL3893074 0.71 ACHE (0.50) MEN1KMT2ASMN1; SMN2TP53MAPK1
SCHEMBL13536645 0.71 MAPT (0.41) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL169059 0.70
SCHEMBL18860633 0.70 ALDH1A1 (0.44) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL1479247 0.70 CYP3A4 (0.48) MEN1KMT2AMAPTTP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 MEN1 3990/4885KMT2A 3740/4885MAPT 1076/4885

“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.