SCHEMBL16596087

SCHEMBL16596087

CCC[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)O)c2C(N)=O)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 2/20 0.62
ALDH1A1 P00352 8/20 0.58
KDM4E B2RXH2 6/20 0.58
HPGD P15428 4/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
MAPT P10636 5/20 0.56
AIP O00170 1/20 0.53
SGTA O43765 1/20 0.53
TOMM70 O94826 1/20 0.53
STIP1 P31948 1/20 0.53
PPP5C P53041 1/20 0.53
DNAJC7 Q99615 1/20 0.53
STUB1 Q9UNE7 1/20 0.53
TNIK Q9UKE5 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 2/20 0.51
BLM P54132 1/20 0.51
PDE4B Q07343 2/20 0.47

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
SCHEMBL5454136 0.84 REV1 (0.81) REV1ALDH1A1KDM4EHPGDRAB9A
SCHEMBL8290603 0.76 ALDH1A1 (0.72) REV1ALDH1A1KDM4EHPGDRAB9A
SCHEMBL5460515 0.74 AIP (0.69) REV1ALDH1A1KDM4EHPGDRAB9A
SCHEMBL5451446 0.73 AIP (0.71) REV1ALDH1A1KDM4EHPGDRAB9A
SCHEMBL5453282 0.73 AIP (0.71) REV1ALDH1A1KDM4EHPGDRAB9A
SCHEMBL3456790 0.72 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL5453185 0.71 FLT3 (0.65) REV1ALDH1A1KDM4EHPGDRAB9A
SCHEMBL5447651 0.71 FLT3 (0.65) REV1ALDH1A1KDM4EHPGDRAB9A
SCHEMBL8291584 0.70 REV1 (0.61) REV1ALDH1A1KDM4EHPGDRAB9A
SCHEMBL21347434 0.70 ALDH1A1 (0.62) REV1ALDH1A1KDM4EHPGDRAB9A

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-9247749-B2 Antimicrobial compounds and their use in treating plant disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-02-02 US disclosed
US-20150087512-A1 ANTIMICROBIAL COMPOUNDS AND THEIR USE IN TREATING PLANT DISEASE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2015-03-26 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-20150087512-A1 ANTIMICROBIAL COMPOUNDS AND THEIR USE IN TREATING PLANT DISEASE SEC23A, SEC13, NAAA REV1 592/4885ALDH1A1 3754/4885KDM4E 4015/4885

“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.