SCHEMBL5568656

SCHEMBL5568656

COC(=O)CNc1ccccc1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
APOBEC3A P31941 1/20 0.43
RECQL P46063 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 3/20 0.42
ALOX5 P09917 1/20 0.42
MMP2 P08253 3/20 0.41
MMP8 P22894 3/20 0.41
MMP12 P39900 3/20 0.41
MMP13 P45452 3/20 0.41
MMP14 P50281 3/20 0.41
MMP16 P51512 3/20 0.41
MMP9 P14780 2/20 0.41
MMP1 P03956 1/20 0.41

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
SCHEMBL5286168 0.90 HTR6 (0.55) HTR6MEN1KMT2AMMP2MMP8
SCHEMBL699183 0.86 HTR6 (0.50) HTR6MEN1KMT2AL3MBTL1POLB
SCHEMBL6609387 0.85 KMT2A (0.56) HTR6MEN1KMT2APOLBMAPT
SCHEMBL5283947 0.80 ADRA1A (0.47) MEN1KMT2APOLBTDP1ALDH1A1
SCHEMBL9023668 0.79 CA1 (0.56)
SCHEMBL10727900 0.77 HTR6 (0.56) HTR6MEN1KMT2AL3MBTL1POLB
SCHEMBL5281915 0.75 HTR6 (0.48) HTR6MMP2MMP8MMP12MMP13
SCHEMBL702691 0.75 HTR6 (0.57) HTR6MMP2MMP8MMP12MMP13
SCHEMBL5572760 0.74 ALDH1A1 (0.48) MEN1KMT2AL3MBTL1POLBMAPT
SCHEMBL5574104 0.74 PLAU (0.46) MEN1KMT2AL3MBTL1POLBMAPT

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-7166580-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-01-23 US disclosed
US-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN MA INC. 2003-09-04 US disclosed
US-6559127-B1 Intercellular adhesion mediated by VLA-4 and other cell surface receptors is associated with a number of inflammatory responses ATHENA NEUROSCIENCES, INC. 2003-05-06 US disclosed
EP-1001973-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006433-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 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-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 HTR6 1228/4885MEN1 1749/4885KMT2A 1871/4885

“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.