Sugi Predict

Sugi Predict / Compounds / SCHEMBL1481647

SCHEMBL1481647

SCHEMBL1481647

COC(=O)CCCCOc1ccc(-c2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)cn3C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PDE3B Q13370 6/20 0.40
▸ PDE3A Q14432 6/20 0.40
▸ P2RY12 Q9H244 5/20 0.40
▸ PDE2A O00408 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ CNR1 P21554 2/20 0.38
▸ JAK2 O60674 1/20 0.37

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
SCHEMBL1481649 1.00 PTGS2 (0.41) PTGS2MAPTPDE3BPDE3AP2RY12
SCHEMBL1481209 0.97 MAPT (0.44) PTGS2MAPTPDE3BPDE3AP2RY12
SCHEMBL1481210 0.97 MAPT (0.44) PTGS2MAPTPDE3BPDE3AP2RY12
SCHEMBL1480586 0.92 PPARA (0.46) PDE3BPDE3APDE2ACNR1PPARA
SCHEMBL1480587 0.92 PPARA (0.46) PDE3BPDE3APDE2ACNR1PPARA
SCHEMBL1480594 0.89 FFAR4 (0.43) PDE3BPDE3AP2RY12CNR1PPARA
SCHEMBL1480591 0.89 FFAR4 (0.43) PDE3BPDE3AP2RY12CNR1PPARA
SCHEMBL1481218 0.88 MAPT (0.42) PTGS2MAPTPDE3BPDE3AP2RY12
SCHEMBL1481219 0.88 MAPT (0.42) PTGS2MAPTPDE3BPDE3AP2RY12
SCHEMBL6532509 0.85 MAPT (0.40) PTGS2MAPTPDE3BPDE3AP2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 — — US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 — — US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 — — US disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 — — EP disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 — — US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 — — 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 (2 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ PTGS2 1093/4885MAPT 3558/4885PDE3B 183/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ PTGS2 1093/4885MAPT 3558/4885PDE3B 183/4885

“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.