SCHEMBL13411276

SCHEMBL13411276

CC(=O)COCC(=O)NCCCNC(=O)COCC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.47
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CES2 O00748 1/20 0.41
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RECQL P46063 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ CASP2 P42575 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NAAA Q02083 1/20 0.34
▸ PAOX Q6QHF9 1/20 0.33

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
SCHEMBL15075515 0.90 FAAH (0.56) FAAHMEN1KMT2ACES2TSHR
SCHEMBL13411277 0.87 TSHR (0.59) FAAHMEN1KMT2ATSHRKDM4E
SCHEMBL18057043 0.87 FAAH (0.49) FAAHMEN1KMT2ACES2KDM4E
SCHEMBL9921405 0.85 FAAH (0.46) FAAHMEN1KMT2ACES2TSHR
SCHEMBL21501522 0.84 CES2 (0.41) FAAHMEN1KMT2ACES2TSHR
SCHEMBL16182412 0.82 TSHR (0.56) FAAHCES2TSHRALDH1A1SMN1; SMN2
SCHEMBL16277091 0.82 FAAH (0.45) FAAHMEN1KMT2ACES2KDM4E
SCHEMBL13034763 0.82 TSHR (0.43) FAAHMEN1KMT2ACES2TSHR
SCHEMBL12733561 0.82 CES2 (0.51) FAAHCES2TSHRALDH1A1SMN1; SMN2
SCHEMBL13531884 0.82 HPGD (0.45) CES2TSHRKDM4EALDH1A1SMN1; SMN2

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-20100056543-A1 POSACONAZOLE POLYMER CONJUGATES AND METHODS OF TREATMENT USING POSACONAZOLE AND POLYMER CONJUGATES THEREOF ENZON PHARMACEUTICALS, INC. (US) 2010-03-04 — — US disclosed
US-7625898-B2 Posaconazole polymer conjugates and methods of treatment using posaconazole and polymer conjugates thereof ENZON PHARMACEUTICALS, INC. (US) 2009-12-01 — — US disclosed
US-20080171013-A1 POSACONAZOLE POLYMER CONJUGATES AND METHODS OF TREATMENT USING POSACONAZOLE AND POLYMER CONJUGATES THEREOF ENZON PHARMACEUTICALS, INC. (US) 2008-07-17 — — 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 (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-20080171013-A1 POSACONAZOLE POLYMER CONJUGATES AND METHODS OF TREATMENT USING POSACONAZOLE AND POLYMER CONJUGATES THEREOF ALG1, DDOST, B3GAT3 FAAH 4221/4885MEN1 263/4885KMT2A 2622/4885
US-20100056543-A1 POSACONAZOLE POLYMER CONJUGATES AND METHODS OF TREATMENT USING POSACONAZOLE AND POLYMER CONJUGATES THEREOF ALG1, DDOST, B3GAT3 FAAH 4221/4885MEN1 263/4885KMT2A 2622/4885

“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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