SCHEMBL6846471

SCHEMBL6846471

CC(=S)Nc1ccc(S(=O)(=O)N(C)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.49
TSHR P16473 1/20 0.49
TAS2R38 P59533 1/20 0.47
ALDH1A1 P00352 6/20 0.46
HTT P42858 5/20 0.46
NPSR1 Q6W5P4 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.44
ALOX12 P18054 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
NAMPT P43490 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6841293 0.88 TSHR (0.64) TSHRALDH1A1HTTL3MBTL1MEN1
SCHEMBL6846739 0.81 HTT (0.50) TSHRALDH1A1HTTMEN1KMT2A
SCHEMBL16358471 0.73 ESR1 (0.63) TSHRALDH1A1HTTNPSR1MEN1
SCHEMBL12903642 0.69 TSHR (0.70) TSHRALDH1A1HTTNPSR1L3MBTL1
SCHEMBL1593422 0.69 MEN1 (0.74) NPY2RTSHRALDH1A1HTTL3MBTL1
SCHEMBL12994191 0.69 TAS2R38 (0.52) TSHRTAS2R38ALDH1A1HTTL3MBTL1
SCHEMBL3633258 0.69 ALDH1A1 (0.65) TSHRALDH1A1HTTL3MBTL1MEN1
SCHEMBL16615791 0.68 ALDH1A1 (0.65) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL6846468 0.68 MAPT (0.52) TSHRALDH1A1HTTMEN1KMT2A
SCHEMBL340780 0.68 TAS2R38 (1.00) TSHRTAS2R38ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA NPY2R 1654/4885TSHR 2259/4885TAS2R38 3113/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA NPY2R 1654/4885TSHR 2259/4885TAS2R38 3113/4885

“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.