SCHEMBL7051691

SCHEMBL7051691

Cc1ccc(Oc2cnccc2NC(=O)C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 12/20 0.47
PTGS2 P35354 11/20 0.47
MAPT P10636 1/20 0.46
GALR3 O60755 1/20 0.43
TSHR P16473 1/20 0.41
CYP19A1 P11511 1/20 0.41
MAPK14 Q16539 2/20 0.41
MMP2 P08253 1/20 0.40
CYP3A4 P08684 1/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
MMP13 P45452 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL7058172 0.79 CCNC (0.41) MAPTGALR3MAPK14MMP2CYP3A4
SCHEMBL7054262 0.78 ICAM1 (0.43) MAPTGALR3MAPK14HTTMMP13
SCHEMBL4153508 0.76 TSHR (0.49) TSHRCYP3A4SMN1; SMN2
SCHEMBL9853804 0.73 PTGS1 (0.62) PTGS1PTGS2MAPTTSHR
SCHEMBL1190850 0.73 TSHR (0.49) TSHRCYP3A4SMN1; SMN2
SCHEMBL13475708 0.73 TSHR (0.49) MAPTTSHRCYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL9853805 0.72 PTGS1 (0.60) PTGS1PTGS2MAPTTSHR
SCHEMBL3899443 0.72 TSHR (0.48) MAPTTSHRCYP3A4SMN1; SMN2
SCHEMBL5918078 0.72 TSHR (0.48) TSHRCYP3A4SMN1; SMN2
SCHEMBL13686476 0.71 KDM4E (0.48) TSHRCYP3A4SMN1; SMN2

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 8 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
US-6579882-B2 Thieno(2,3-d)pyrimidine derivatives ABBOTT LABORATORIES 2003-06-17 US disclosed
EP-1181296-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2002-02-27 EP disclosed
US-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ABBVIE INC. 2001-09-06 US disclosed
US-6232320-B1 THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES ABBOTT LABORATORIES 2001-05-15 US disclosed
EP-1090009-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
WO-2000075145-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2000-12-14 WO disclosed
WO-1999062908-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 1999-12-09 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-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM PTGS1 17/4885PTGS2 87/4885MAPT 3906/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM PTGS1 17/4885PTGS2 87/4885MAPT 3906/4885

“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.