SCHEMBL19319084

SCHEMBL19319084

CC(NC(=O)C(C)(C)C)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX5 P09917 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL19319112 1.00 ALDH1A1 (0.49) ALDH1A1POLBMAPTHPGDALOX5
SCHEMBL7723792 0.81 ALDH1A1 (0.52) ALDH1A1POLBMAPTHPGDALOX5
SCHEMBL10441732 0.77 MEN1 (0.60) ALDH1A1POLBMAPTHPGDL3MBTL1
SCHEMBL10441736 0.77 HPGD (0.59) ALDH1A1POLBMAPTHPGDTSHR
SCHEMBL16706063 0.77 TSHR (0.55) ALDH1A1POLBMAPTHPGDALOX5
SCHEMBL2653231 0.75 ALDH1A1 (0.58) ALDH1A1POLBMAPTHPGDL3MBTL1
SCHEMBL14531701 0.74 ALDH1A1 (0.42) ALDH1A1POLBMAPTHPGDALOX5
SCHEMBL10441734 0.74 MAPT (0.50) ALDH1A1POLBMAPTHPGDTSHR
SCHEMBL3321731 0.73 ALDH1A1 (0.46) ALDH1A1POLBMAPTHPGDALOX5
SCHEMBL10441789 0.73 RAB9A (0.54) ALDH1A1POLBMAPTHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC ALDH1A1 1148/4885POLB 2951/4885MAPT 3166/4885

“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.