SCHEMBL3919977

SCHEMBL3919977

CC(=O)OCCCCS(=O)(=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 2/20 0.42
CA2 P00918 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
PTGS2 P35354 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.40
FPR1 P21462 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
FKBP1A P62942 1/20 0.39
SLC18A3 Q16572 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL18922453 0.80 ALDH1A1 (0.50) ALDH1A1KMT2ACA2HPGDFPR1
SCHEMBL3919692 0.78 HDAC1 (0.51) ALDH1A1CA2TDP1PTGS2LMNA
SCHEMBL5605990 0.77 LMNA (0.61) ALDH1A1TDP1LMNA
SCHEMBL17045886 0.76 CA12 (0.50) ALDH1A1KMT2ACA2TDP1LMNA
SCHEMBL10702591 0.76 LMNA (0.59) ALDH1A1LMNA
SCHEMBL1345319 0.76 LMNA (0.59) ALDH1A1LMNA
SCHEMBL15529361 0.76 LMNA (0.59) ALDH1A1LMNA
SCHEMBL14445679 0.76 LMNA (0.59) ALDH1A1LMNA
SCHEMBL22912517 0.76 CYP2C19 (0.48) ALDH1A1KMT2ACA2LMNAHPGD
SCHEMBL5945554 0.76 LMNA (0.59) ALDH1A1LMNA

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-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC ALDH1A1 2621/4885KMT2A 1666/4885CA2 1736/4885

“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.