SCHEMBL1481530

SCHEMBL1481530

O=C(CBr)c1cccc2c1COCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ CTNNB1 P35222 6/20 0.39
▸ WNT3A P56704 5/20 0.39
▸ LMNA P02545 2/20 0.38
▸ CRHBP P24387 2/20 0.38
▸ CRHR2 Q13324 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 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
SCHEMBL30440993 0.87 PTPN1 (0.41) PTPN1CTNNB1WNT3AGSK3B
SCHEMBL639330 0.78 CTNNB1 (0.59) PTPN1CTNNB1WNT3AHDAC3HDAC4
SCHEMBL30440840 0.72 ALDH1A1 (0.37) SMN1; SMN2CTNNB1WNT3ALMNAHTT
SCHEMBL881598 0.70 KDM4E (0.40) SMN1; SMN2GAALMNACRHBPCRHR2
SCHEMBL636844 0.69 CTNNB1 (0.46) PTPN1GAACTNNB1WNT3ALMNA
SCHEMBL24367973 0.67 SMN1; SMN2 (0.48) SMN1; SMN2GAALMNACRHBPCRHR2
SCHEMBL29973872 0.67 CYP2C9 (0.40) SMN1; SMN2KDM4E
SCHEMBL881345 0.67 KDM4E (0.50) SMN1; SMN2CTNNB1WNT3AHTTKDM4E
SCHEMBL29974224 0.66 PARP1 (0.44) GAAKDM4E
Hydrochloric Acid SCHEMBL31473113 0.65 PARP1 (0.43) GAAKDM4E

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
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
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 — — WO 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 PTPN1 10/4885SMN1; SMN2 4575/4885GAA 296/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ PTPN1 10/4885SMN1; SMN2 4575/4885GAA 296/4885

“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.

Send feedback