SCHEMBL1003213

SCHEMBL1003213

COc1cccnc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2C(=O)NCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
FKBP1A P62942 2/20 0.53
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.50
RAB9A P51151 3/20 0.49
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL1003224 0.86 L3MBTL1 (0.60) ALDH1A1LMNAHTT
SCHEMBL1001317 0.81 KMT2A (0.52) TDP1ALDH1A1HPGDTSHRRAB9A
SCHEMBL1000769 0.79 MEN1 (0.65) ALDH1A1TSHRRAB9ALMNAHTT
SCHEMBL1001588 0.78 MEN1 (0.67) ALDH1A1TSHRRAB9ALMNAHTT
SCHEMBL1001479 0.77 LMNA (0.49) ALDH1A1TSHRRAB9ALMNAHTT
SCHEMBL1001413 0.77 MAPK1 (0.48) ALDH1A1TSHRRAB9ALMNAHTT
SCHEMBL1001470 0.76 LMNA (0.45) ALDH1A1TSHRRAB9ALMNAHTT
SCHEMBL1001640 0.76 CYP2C19 (0.49) ALDH1A1TSHRRAB9ALMNAHTT
SCHEMBL1002313 0.76 MEN1 (0.53) ALDH1A1RAB9ALMNA
SCHEMBL1000611 0.75 MEN1 (0.51) ALDH1A1TSHRRAB9ALMNAHTT

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-8420823-B2 Long-chain fatty acyl elongase inhibitor comprising arylsulfonyl derivative as active ingredient MSD K.K. (JP) 2013-04-16 US disclosed
EP-2280001-A1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT Banyu Pharmaceutical Co., Ltd. (JP) 2011-02-02 EP disclosed
US-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD K.K. (JP) 2011-01-13 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-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT ELOVL1, ELOVL6, ELOVL3 TDP1 2513/4885FKBP1A 880/4885ALDH1A1 188/4885

“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.