SCHEMBL12168364

SCHEMBL12168364

O=C(O)c1nnsc1COCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.38
▸ ILK Q13418 1/20 0.37
▸ NR4A1 P22736 1/20 0.37
▸ NR4A2 P43354 1/20 0.37
▸ NR4A3 Q92570 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ P4HTM Q9NXG6 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37

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
SCHEMBL23486383 0.81 ALDH1A1 (0.47) TSHRALDH1A1CYP1A2CYP2C9HSD17B10
SCHEMBL6969052 0.76 TSHR (0.50) TSHRALDH1A1KMT2AMEN1KDM4E
SCHEMBL23486285 0.73 ALDH1A1 (0.50) TSHRALDH1A1CYP1A2CYP2C9HSD17B10
SCHEMBL23453753 0.72 SRD5A2 (0.54) ALDH1A1CYP1A2CYP2C9HSD17B10
Hydrogen Peroxide SCHEMBL28758135 0.70 TSHR (0.94) TSHRALDH1A1CYP1A2KMT2AKDM4E
Terephthalic Acid SCHEMBL11039705 0.69 NR4A2 (0.69) TSHRALDH1A1KMT2AMEN1NR4A1
SCHEMBL18869086 0.69 TDP1 (0.50) TSHRALDH1A1KMT2AILKKDM4E
SCHEMBL22005508 0.69 ILK (0.51) TSHRALDH1A1KMT2AMEN1ILK
Acetic Acid SCHEMBL28710458 0.68 TSHR (0.71) TSHRALDH1A1KMT2AMAPK1L3MBTL1
Acetic Acid SCHEMBL4466285 0.68 TSHR (0.71) TSHRALDH1A1KMT2AMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232107-A1 NON-PEPTIDE ANTAGONISTS OF GASTRIN RELEASING PEPTIDE THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH 2012-09-13 — — US disclosed
US-20120232107-A1 NON-PEPTIDE ANTAGONISTS OF GASTRIN RELEASING PEPTIDE THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH 2012-09-13 — — US disclosed
US-20080249115-A1 small molecule, non-peptide, modulators (e.g., antagonists or agonists) of peptide hormones; treating low blood pressure or an eating disorder THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS (US) 2008-10-09 — — US disclosed
US-20080249115-A1 small molecule, non-peptide, modulators (e.g., antagonists or agonists) of peptide hormones; treating low blood pressure or an eating disorder THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS (US) 2008-10-09 — — 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-20120232107-A1 NON-PEPTIDE ANTAGONISTS OF GASTRIN RELEASING PEPTIDE GRPR, GIPR, CCKBR TSHR 189/4885ALDH1A1 4802/4885CYP1A2 4866/4885
US-20080249115-A1 small molecule, non-peptide, modulators (e.g., antagonists or agonists) of peptide hormones; treating low blood pressure or an eating disorder GIPR, GRPR, CRH TSHR 301/4885ALDH1A1 4862/4885CYP1A2 4811/4885

“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.

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