SCHEMBL20717849

SCHEMBL20717849

Cc1cc(NC(=O)OCC(C)C)no1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 4/20 0.53
EGFR P00533 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.49
KLK7 P49862 2/20 0.49
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAPDH P04406 1/20 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
SCHEMBL20718420 0.88 NPC1 (0.57) NPC1RAB9AALDH1A1EGFRGAA
SCHEMBL20718210 0.88 NPC1 (0.57) NPC1RAB9AALDH1A1EGFRGAA
SCHEMBL20718430 0.88 NPC1 (0.57) NPC1RAB9AALDH1A1EGFRGAA
SCHEMBL22550678 0.87 NPC1 (0.56) NPC1RAB9AALDH1A1EGFRGAA
SCHEMBL22550663 0.87 NPC1 (0.56) NPC1RAB9AALDH1A1EGFRGAA
SCHEMBL22550676 0.87 NPC1 (0.56) NPC1RAB9AALDH1A1EGFRGAA
SCHEMBL22793355 0.86 MAPT (0.52) NPC1RAB9AALDH1A1EGFRGAA
SCHEMBL9165074 0.84 NPC1 (0.71) NPC1RAB9AALDH1A1EGFRGAA
SCHEMBL22550510 0.80 NPC1 (0.55) NPC1RAB9AALDH1A1EGFRGAA
SCHEMBL11643675 0.79 MAPT (0.62) NPC1RAB9AALDH1A1EGFRGAA

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
WO-2020251953-A1 STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-17 WO disclosed
US-20200325177-A1 METHODS OF MAKING STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-15 US disclosed
WO-2019028084-A1 METHODS OF MAKING STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-02-07 WO 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-20200325177-A1 METHODS OF MAKING STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF PLG, LIPA, MB NPC1 2832/4885RAB9A 3115/4885ALDH1A1 4479/4885

“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.