SCHEMBL2603266

SCHEMBL2603266

C=S(C)(=O)NCCC(=O)N1CC=C(C(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP2D6 P10635 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 1/20 0.34
S1PR1 P21453 1/20 0.34
NAMPT P43490 1/20 0.33

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
SCHEMBL2606199 0.90 S1PR1 (0.41) ALDH1A1LMNAHTTTSHRMAPT
SCHEMBL2603265 0.74 MEN1 (0.37) ALDH1A1GAAMEN1KMT2ARAB9A
SCHEMBL25633280 0.73 MEN1 (0.36) ALDH1A1HTTMAPTSMN1; SMN2KDM4E
SCHEMBL19998528 0.73 JAK1 (0.48) MEN1KMT2A
SCHEMBL12030754 0.71 NAMPT (0.45) ALDH1A1TSHRMAPTUSP2CYP1A2
SCHEMBL8178812 0.71 KDM4E (0.45) KDM4EMEN1KMT2ANAMPT
SCHEMBL23442166 0.70 MEN1 (0.36) MEN1KMT2ANAMPTMAPK1
SCHEMBL25743035 0.70 MEN1 (0.41) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL26027610 0.69 KMT2A (0.42) ALDH1A1TSHRMEN1KMT2ARAB9A
SCHEMBL104852 0.69 QDPR (0.45) LMNAMAPTCYP1A2KMT2ANAMPT

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
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 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-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 ALDH1A1 361/4885LMNA 3429/4885HTT 1695/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 ALDH1A1 285/4885LMNA 3773/4885HTT 699/4885

“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.