SCHEMBL7057753

SCHEMBL7057753

Clc1ccc(Oc2nncc3sccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.37
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
CDK8 P49336 5/20 0.36
PIM1 P11309 1/20 0.36
MAP2K2 P36507 1/20 0.36
MAP4K2 Q12851 1/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
APEX1 P27695 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
LTA4H P09960 2/20 0.35
HAO1 Q9UJM8 1/20 0.34
CCNC P24863 4/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL27273033 0.77 KDM4E (0.36) LMNAALDH1A1MAPTICAM1SELE
SCHEMBL7053754 0.74 CDK8 (0.59) CDK8PIM1MAP2K2MAP4K2CCNC
SCHEMBL20631783 0.74 ALDH1A1 (0.41) LMNATSHRALDH1A1RAB9AMAPT
SCHEMBL7056612 0.72 CCNC (0.65) CDK8PIM1CCNCMAP3K8CCNT1
SCHEMBL7058862 0.71 KDM4E (0.39) KDRCDK8PIM1MAP2K2MAP4K2
SCHEMBL7057878 0.71 ICAM1 (0.65) CDK8PIM1MAP4K2CCNCCCNT1
SCHEMBL7057883 0.68 CDK8 (0.47) CDK8PIM1MAP2K2MAP4K2SMN1; SMN2
SCHEMBL19117455 0.64 KDM4E (0.39) LMNAALDH1A1MAPTICAM1SELE
SCHEMBL29904691 0.64 KDM4E (0.39) KDRCDK8PIM1MAP2K2MAP4K2
SCHEMBL3980727 0.64 KDM4E (0.39) KDRCDK8PIM1MAP2K2MAP4K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds STEWART ANDREW O (US) 2003-11-27 US disclosed
EP-1181296-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2002-02-27 EP disclosed
US-6232320-B1 THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES ABBOTT LABORATORIES 2001-05-15 US disclosed
WO-2000075145-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2000-12-14 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 (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-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM SCN9A 1850/4885FLT1 1212/4885KDR 2165/4885

“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.