SCHEMBL5866336

SCHEMBL5866336

COc1ccc(C)cc1S(=O)(=O)Nc1ccccc1SCCc1ccc(C=NN)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 4/20 0.42
ACLY P53396 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5866325 1.00 SMN1; SMN2 (0.52) SMN1; SMN2TSHRCASP1CASP7HSD17B10
SCHEMBL5866255 0.90 GAA (0.46) SMN1; SMN2TSHRCASP1CASP7HSD17B10
SCHEMBL5866259 0.90 GAA (0.46) SMN1; SMN2TSHRCASP1CASP7HSD17B10
SCHEMBL5866278 0.85 ALDH1A1 (0.48) SMN1; SMN2TSHRHSD17B10GAAMAPK1
SCHEMBL5866284 0.85 ALDH1A1 (0.48) SMN1; SMN2TSHRHSD17B10GAAMAPK1
SCHEMBL5866328 0.84 MRGPRX1 (0.54) SMN1; SMN2TSHRCASP1CASP7HSD17B10
SCHEMBL5866378 0.81 GAA (0.46) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL5866368 0.81 GAA (0.46) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL5866205 0.79 GUSB (0.55) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL5866211 0.79 GUSB (0.55) SMN1; SMN2GAAMEN1KMT2AALDH1A1

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-7074820-B2 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2006-07-11 US claimed
EP-0917528-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-09-18 EP claimed
US-20020040043-A1 Amidino derivatives and their use as thrombin inhibitors ANTONSSON THOMAS (SE) 2002-04-04 US claimed
US-6221898-B1 ANTICOAGULANTS ASTRA AKTIEBOLAG (SE) 2001-04-24 US claimed
EP-0917528-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-09-18 EP 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-20020040043-A1 Amidino derivatives and their use as thrombin inhibitors SERPINC1, F2, SERPINE1 SMN1; SMN2 4046/4885TSHR 417/4885CASP1 157/4885

“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.