SCHEMBL3737201

SCHEMBL3737201

O=S(=O)([N]C(F)(F)F)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.47
MCL1 Q07820 1/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKR1B1 P15121 1/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
PKM P14618 1/20 0.37
NFE2L2 Q16236 4/20 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
SCHEMBL6928310 0.77 HSD11B1 (0.44) HSD11B1ALDH1A1L3MBTL1AKR1B1GAA
SCHEMBL4890031 0.74 ELANE (0.54) HSD11B1MCL1ALDH1A1L3MBTL1AKR1B1
SCHEMBL4433417 0.74 HSD11B1 (0.51) HSD11B1MCL1ALDH1A1L3MBTL1AKR1B1
SCHEMBL30165578 0.74 HSD11B1 (0.51) HSD11B1MCL1ALDH1A1L3MBTL1AKR1B1
SCHEMBL2439202 0.71 ALDH1A1 (0.46) HSD11B1ALDH1A1L3MBTL1TSHRHSD17B10
SCHEMBL5700285 0.71 HSD11B1 (0.40) HSD11B1ALDH1A1L3MBTL1GAATSHR
SCHEMBL1124590 0.71 HSD11B1 (0.40) HSD11B1ALDH1A1L3MBTL1AKR1B1GAA
SCHEMBL248010 0.69 HSD11B1 (0.59) HSD11B1ALDH1A1L3MBTL1AKR1B1GAA
SCHEMBL30697126 0.69 HSD11B1 (0.59) HSD11B1ALDH1A1L3MBTL1AKR1B1GAA
SCHEMBL2123876 0.69 HSD11B1 (0.59) HSD11B1ALDH1A1L3MBTL1AKR1B1GAA

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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US claimed
EP-2061449-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES Leo Pharma A/S (DK) 2009-05-27 EP claimed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 WO claimed
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R HSD11B1 77/4885MCL1 4700/4885ALDH1A1 1976/4885

“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.