SCHEMBL2829414

SCHEMBL2829414

CCOC(=O)c1c(OC)cc(C(=O)O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.55
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA4 P22748 2/20 0.55
CA6 P23280 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
CA3 P07451 1/20 0.55
PKM P14618 1/20 0.55
CA5A P35218 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
TSHR P16473 1/20 0.53
PTGS2 P35354 1/20 0.51
CNR2 P34972 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TPMT P51580 2/20 0.49
LMNA P02545 2/20 0.48

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
SCHEMBL11849440 0.86 TSHR (0.53) HSD17B2CA12CA1CA2CA7
SCHEMBL11853743 0.85 MAPK1 (0.54) HSD17B2TSHRLMNACYP3A4HPGD
SCHEMBL7828549 0.83 CA12 (0.51) HSD17B2CA12CA1CA2CA4
SCHEMBL13554532 0.82 CYP3A4 (0.63) HSD17B2CA12CA1CA2CA7
SCHEMBL5960635 0.82 HSD17B2 (0.51) HSD17B2PKMTSHRLMNACYP3A4
SCHEMBL11854718 0.82 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL26437234 0.81 LMNA (0.54) HSD17B2CA12CA1CA2CA7
SCHEMBL5232483 0.81 HPGD (0.49) HSD17B2CA12CA1CA2CA7
SCHEMBL7241195 0.80 CYP3A4 (0.56) CA12CA1CA2CA7CA9
SCHEMBL9515990 0.79 CA1 (0.69) CA12CA1CA2CA4CA6

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
EP-1404372-B1 PHARMACEUTICAL FORMULATIONS AND LIGANDS FOR USE THEREIN; MIMETICS FOR UEA-1 SARLAN LTD (BM) 2010-03-03 EP disclosed
US-7166296-B2 Pharmaceutical formulations and ligands for use therein; mimetics for UEA-1 SARLAN, LTD. (BM) 2007-01-23 US disclosed
US-20060276628-A1 Pharmaceutical Formulations and Ligands for Use Therein; Mimetics for UEA-1 HOUGHTEN RICHARD 2006-12-07 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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-20060276628-A1 Pharmaceutical Formulations and Ligands for Use Therein; Mimetics for UEA-1 UTS2R, PLAUR, HNRNPUL1 HSD17B2 4809/4885CA12 4043/4885CA1 4118/4885

“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.