SCHEMBL3948004

SCHEMBL3948004

Cc1ccc(C)c(NS(=O)(=O)c2ccccc2N)c1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
SLC40A1 Q9NP59 4/20 0.51
NFKBIA P25963 2/20 0.51
RELA Q04206 2/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GAA P10253 1/20 0.49
G6PD P11413 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
NPY2R P49146 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL2616424 0.78 METAP2 (0.63) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL3947043 0.77 SMN1; SMN2 (0.66) ALDH1A1SLC40A1NFKBIARELAMEN1
SCHEMBL2530533 0.76 LMNA (0.58) ALDH1A1KMT2AGAAHPGDHTT
SCHEMBL11593888 0.75 KMT2A (0.57) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL17774583 0.73 ALDH1A1 (0.50) ALDH1A1SLC40A1NFKBIARELAGAA
SCHEMBL31681419 0.73 CA2 (0.60) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL3783806 0.72 CA2 (0.66) SLC40A1NFKBIARELAMEN1KMT2A
SCHEMBL3842057 0.72 CA12 (0.56) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL11509072 0.72 MEN1 (0.56) ALDH1A1SLC40A1NFKBIARELAMEN1
SCHEMBL6392497 0.72 ALDH1A1 (0.75) ALDH1A1MEN1KMT2AGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511043-B2 FXR modulators AMGEN INC. (US) 2009-03-31 US disclosed
US-7511043-B2 FXR modulators AMGEN INC. (US) 2009-03-31 US disclosed
US-7511043-B2 FXR modulators AMGEN INC. (US) 2009-03-31 US disclosed
US-20040176426-A1 FXR modulators TULARIK, INC. 2004-09-09 US disclosed
US-6777446-B2 FARNESOID X RECEPTOR; TREATING DISEASES ASSOCIATED WITH ABNORMALLY HIGH OR LOW CHOLESTEROL LEVELS. TULARIK, INC. 2004-08-17 US disclosed
US-20020120137-A1 Farnesoid X receptor; treating diseases associated with abnormally high or low cholesterol levels. TULARIK INC. 2002-08-29 US disclosed
WO-2002020463-A2 FXR MODULATORS TULARIK INC. (US) 2002-03-14 WO 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-20020120137-A1 Farnesoid X receptor; treating diseases associated with abnormally high or low cholesterol levels. NR1H4, NR1H2, NR1H3 ALDH1A1 2422/4885SLC40A1 1223/4885NFKBIA 537/4885
US-20040176426-A1 FXR modulators NR1H4, CYP7A1, CYP7B1 ALDH1A1 1900/4885SLC40A1 1044/4885NFKBIA 605/4885

“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.