SCHEMBL999897

SCHEMBL999897

CCC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)c3ccccn3)c2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 5/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4A O75164 1/20 0.40
KDM4B O94953 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
NAMPT P43490 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1000622 0.91 GCK (0.45) LMNARAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL1000780 0.91 RAB9A (0.54) TSHRALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL1000445 0.89 KAT6A (0.48) TSHRALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL1003384 0.88 RAB9A (0.41) TSHRALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL1002283 0.86 RAB9A (0.44) TSHRALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL1001322 0.81 MEN1 (0.45) TSHRALDH1A1LMNARAB9AHTT
SCHEMBL1001199 0.81 KAT6A (0.47) TSHRLMNASMN1; SMN2NPC1HTT
SCHEMBL1001546 0.75 TSHR (0.49) TSHRALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL1002215 0.72 SMN1; SMN2 (0.54) TSHRALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL1000488 0.72 LMNA (0.43) TSHRALDH1A1LMNASMN1; SMN2HTT

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
EP-2280001-B1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD KK (JP) 2014-10-15 EP disclosed
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 TSHR 3094/4885ALDH1A1 188/4885LMNA 1767/4885

“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.