SCHEMBL7529216

SCHEMBL7529216

O=C(O)COc1ccc2c(c1)Cc1sc(S(=O)(=O)CCC(c3ccccc3)c3ccccc3)nc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.42
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
APAF1 O14727 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
TDP2 O95551 2/20 0.39
TP53 P04637 5/20 0.39
THRB P10828 3/20 0.39
PTPN7 P35236 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38

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
SCHEMBL7524018 0.92 FBP1 (0.43) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL7518394 0.82 MAPT (0.43) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL7529067 0.81 ADORA1 (0.39) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL7529395 0.80 FBP1 (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7521965 0.77 PTGIR (0.40) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL7520588 0.77 HSD17B10 (0.52) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL7523923 0.76 ADORA1 (0.38) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL7528912 0.76 KDM4E (0.37) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7522397 0.75 ADORA1 (0.38) MAPTALDH1A1KMT2AKDM4EHPGD
SCHEMBL7522207 0.75 FBP1 (0.45) MAPTALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR MAPT 4864/4885ALDH1A1 1662/4885MEN1 2854/4885

“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.