SCHEMBL22579252

SCHEMBL22579252

COC(=O)/C=C/c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 16/20 0.52
▸ WNT3A P56704 1/20 0.47
▸ PGK1 P00558 1/20 0.46
▸ CKS1B P61024 2/20 0.46
▸ SKP1 P63208 2/20 0.46
▸ SKP2 Q13309 2/20 0.46

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
SCHEMBL22579215 0.89 CKS1B (0.50) RETWNT3APGK1CKS1BSKP1
SCHEMBL22579238 0.87 ABCB1 (0.51) RET
SCHEMBL22641741 0.87 RET (0.56) RETWNT3ACKS1BSKP1SKP2
SCHEMBL20128887 0.87 GPR119 (0.52) RETWNT3APGK1CKS1BSKP1
SCHEMBL20214374 0.87 GPR119 (0.52) RETWNT3APGK1CKS1BSKP1
SCHEMBL22579193 0.86 RET (0.49) RETWNT3APGK1
SCHEMBL22579192 0.81 RET (0.46) RETWNT3A
SCHEMBL23640630 0.80 CKS1B (0.47) WNT3ACKS1BSKP1SKP2
SCHEMBL29943946 0.80 CKS1B (0.47) WNT3ACKS1BSKP1SKP2
SCHEMBL10317400 0.79 SMN1; SMN2 (0.54) RETWNT3APGK1CKS1BSKP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3736266-A1 COMPOUND SIMULTANEOUSLY INHIBITING LSD1 AND HDAC TARGETS AND APPLICATION THEREOF Peking University Shenzhen Graduate School (CN) 2020-11-11 — — EP disclosed
US-20200331882-A1 COMPOUND FOR SIMULTANEOUSLY INHIBITING LSD1 AND HDAC TARGETS AND APPLICATION THEREOF PEKING UNIVERSITY SHENZHEN GRADUATE SCHOOL (CN) 2020-10-22 — — 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-20200331882-A1 COMPOUND FOR SIMULTANEOUSLY INHIBITING LSD1 AND HDAC TARGETS AND APPLICATION THEREOF HDAC1, HDAC3, HDAC11 RET 1970/4885WNT3A 1535/4885PGK1 1921/4885

“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.

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