SCHEMBL5866192

SCHEMBL5866192

Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2SCCc2ccc(C=NN)cc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CYP19A1 P11511 1/20 0.38
TSHR P16473 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CCR2 P41597 1/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
MCL1 Q07820 1/20 0.34
BCL2A1 Q16548 1/20 0.34

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
SCHEMBL5866186 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL5866209 0.83 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AGAANPSR1
SCHEMBL5866204 0.83 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AGAANPSR1
Hydrochloric Acid SCHEMBL5866348 0.82 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AGAANPSR1
SCHEMBL5866188 0.82 KDM4E (0.45) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL5866211 0.80 GUSB (0.55) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL5866205 0.80 GUSB (0.55) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL5866325 0.79 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2AHSD17B10TSHR
SCHEMBL5866336 0.79 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2AHSD17B10TSHR
SCHEMBL5866190 0.79 MCL1 (0.44) ALDH1A1CCR2SMN1; SMN2MCL1BCL2A1

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 ALDH1A1 4316/4885KDM4E 4757/4885MEN1 979/4885

“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.