SCHEMBL7526667

SCHEMBL7526667

Cc1ccccc1-c1ccccc1CSc1nc2c(s1)CCc1c(OCC(=O)O)cccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 2/20 0.38
USP2 O75604 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PPARG P37231 4/20 0.36
PPARA Q07869 3/20 0.36
PTGIR P43119 2/20 0.35
PTGDR Q13258 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FFAR1 O14842 1/20 0.35
MCL1 Q07820 1/20 0.35
S1PR1 P21453 1/20 0.34

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
SCHEMBL7518603 0.90 PTGIR (0.41) PPARDMEN1KMT2APKMUSP2
SCHEMBL7523246 0.89 PPARD (0.42) PPARDMEN1KMT2APKMUSP2
SCHEMBL7523903 0.89 PPARD (0.39) PPARDMEN1KMT2APKMUSP2
SCHEMBL7522028 0.88 PTGIR (0.43) PPARDMEN1KMT2APKMUSP2
SCHEMBL7523175 0.87 PTGIR (0.41) PPARDMEN1KMT2APKMUSP2
SCHEMBL7520987 0.86 PPARD (0.49) PPARDPTGDR2PPARGPPARAPTGIR
SCHEMBL7524424 0.86 PPARD (0.41) PPARDMEN1KMT2APKMUSP2
SCHEMBL7523879 0.86 PPARD (0.43) PPARDMEN1KMT2APKMUSP2
SCHEMBL7527935 0.85 PPARD (0.41) PPARDMEN1KMT2APKMUSP2
SCHEMBL7555833 0.84 PTGIR (0.43) PPARDMEN1KMT2APKMUSP2

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 PPARD 942/4885MEN1 2854/4885KMT2A 3081/4885

“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.