SCHEMBL2603304

SCHEMBL2603304

CC(C)N1CCCN(S(C)(=O)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 5/20 0.38
TRPV4 Q9HBA0 1/20 0.38
CYP2D6 P10635 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 3/20 0.36
USP2 O75604 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A5 P20815 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
SCHEMBL6320475 0.91 LMNA (0.48) KMT2AMEN1LMNAGAATRPV4
SCHEMBL23561303 0.82 POLB (0.44) KMT2ALMNAGAATSHRTRPV4
SCHEMBL25422579 0.80 KMT2A (0.42) KMT2AMEN1LMNAGAATSHR
SCHEMBL3123076 0.79
SCHEMBL12989189 0.79
SCHEMBL18705057 0.78 POLB (0.61) KMT2AMEN1LMNAGAATSHR
Hydrochloric Acid SCHEMBL22833152 0.77
SCHEMBL13290564 0.76 CHRNA7 (0.40) LMNAGAACYP2D6SIGMAR1ALDH1A1
SCHEMBL840810 0.76 CHRNA7 (0.40) LMNAGAACYP2D6SIGMAR1ALDH1A1
SCHEMBL31027426 0.76 ALDH1A1 (0.39) KMT2AMEN1LMNAGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 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-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 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 (4 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 KMT2A 2032/4885MEN1 2558/4885LMNA 3429/4885
US-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 KMT2A 2132/4885MEN1 3430/4885LMNA 3695/4885
US-20130012545-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 KMT2A 2132/4885MEN1 3430/4885LMNA 3695/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR KMT2A 2825/4885MEN1 1398/4885LMNA 3708/4885

“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.