SCHEMBL17899112

SCHEMBL17899112

CC1=C(C)CC(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)C(C(=O)O)C1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.83
HTT P42858 2/20 0.83
MAPT P10636 5/20 0.72
GAA P10253 2/20 0.72
POLB P06746 1/20 0.52
ALOX5 P09917 1/20 0.49
PKM P14618 2/20 0.47
GSTO1 P78417 1/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HSD17B10 Q99714 2/20 0.46
XIAP P98170 1/20 0.46
CYP3A4 P08684 1/20 0.46
LMNA P02545 2/20 0.46
S1PR4 O95977 1/20 0.46
ADRB2 P07550 1/20 0.46
S1PR1 P21453 1/20 0.46
NOD2 Q9HC29 1/20 0.46

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
SCHEMBL6861634 0.89 ALDH1A1 (0.77) ALDH1A1HTTMAPTGAAALOX5
SCHEMBL17899118 0.87 ALDH1A1 (0.74) ALDH1A1HTTMAPTGAAPOLB
SCHEMBL5576161 0.86 ALDH1A1 (0.72) ALDH1A1HTTMAPTGAAPOLB
SCHEMBL1914731 0.86 ALDH1A1 (0.62) ALDH1A1HTTMAPTGAAPOLB
SCHEMBL1915756 0.86 ALDH1A1 (0.62) ALDH1A1HTTMAPTGAAPOLB
SCHEMBL5574960 0.85 ALDH1A1 (0.71) ALDH1A1HTTMAPTGAAPOLB
SCHEMBL5574964 0.85 ALDH1A1 (0.71) ALDH1A1HTTMAPTGAAPOLB
SCHEMBL5574968 0.85 ALDH1A1 (0.71) ALDH1A1HTTMAPTGAAPOLB
SCHEMBL6862088 0.84 GAA (1.00) ALDH1A1HTTMAPTGAAPOLB
SCHEMBL1915349 0.77 ALDH1A1 (0.60) ALDH1A1HTTMAPTGAAPOLB

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-10266527-B2 T-box riboswitch-binding anti-bacterial compounds THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF ALBANY (US) 2019-04-23 US disclosed
US-20160194317-A1 T-BOX RIBOSWITCH-BINDING ANTI-BACTERIAL COMPOUNDS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-07-07 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 (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-10266527-B2 T-box riboswitch-binding anti-bacterial compounds TARBP1, AARS1, NSUN3 ALDH1A1 3473/4885HTT 1672/4885MAPT 4117/4885
US-20160194317-A1 T-BOX RIBOSWITCH-BINDING ANTI-BACTERIAL COMPOUNDS TARBP1, AARS1, NSUN3 ALDH1A1 3473/4885HTT 1672/4885MAPT 4117/4885

“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.