SCHEMBL6846468

SCHEMBL6846468

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
POLB P06746 3/20 0.49
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C1 Q04828 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
NAPRT Q6XQN6 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44
HTT P42858 2/20 0.44
GFER P55789 1/20 0.43
GAA P10253 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 0.80 TSHR (0.64) MAPTPOLBTSHRALDH1A1KMT2A
SCHEMBL27394676 0.71 MEN1 (0.54) MAPTPOLBTSHRALDH1A1KMT2A
SCHEMBL4532894 0.69 MAPT (0.80) MAPTPOLBALDH1A1AKR1C3AKR1C1
SCHEMBL10920706 0.69 NAPRT (0.67) MAPTPOLBTSHRALDH1A1KMT2A
SCHEMBL6846471 0.68 NPY2R (0.49) MAPTPOLBTSHRALDH1A1KMT2A
SCHEMBL31202693 0.68 POLB (0.73) MAPTPOLBALDH1A1AKR1C3AKR1C1
SCHEMBL2899741 0.68 POLB (0.67) MAPTPOLBTSHRALDH1A1AKR1C3
SCHEMBL18920348 0.66 CES2 (0.62) MAPTPOLBALDH1A1AKR1C3AKR1C1
Acetanilide SCHEMBL3359084 0.66 NAPRT (1.00) MAPTPOLBTSHRALDH1A1KMT2A
Acetanilide SCHEMBL16922180 0.66 NAPRT (1.00) MAPTPOLBTSHRALDH1A1KMT2A

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 MAPT 899/4885POLB 2588/4885TSHR 2259/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MAPT 899/4885POLB 2588/4885TSHR 2259/4885

“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.