SCHEMBL3562002

SCHEMBL3562002

CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.58
HDAC8 Q9BY41 7/20 0.57
NAMPT P43490 2/20 0.49
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL4648949 0.85 PTPN1 (0.45) PTPN1HDAC8NAMPTALDH1A1TSHR
SCHEMBL2601969 0.81 NAMPT (0.53) NAMPTALDH1A1TSHRMAPK1LMNA
SCHEMBL4803652 0.81 PTPN1 (0.42) PTPN1HDAC8ALDH1A1TSHRLMNA
SCHEMBL9033817 0.78 HDAC8 (0.64) PTPN1HDAC8ALDH1A1
SCHEMBL9033831 0.78 HDAC8 (0.64) PTPN1HDAC8ALDH1A1
SCHEMBL6238826 0.77 HDAC8 (0.70) PTPN1HDAC8NAMPT
SCHEMBL3562005 0.76 F10 (0.47) PTPN1HDAC8ALDH1A1LMNAHPGD
SCHEMBL9033407 0.75 HDAC8 (0.53) PTPN1HDAC8NAMPT
SCHEMBL9033397 0.75 HDAC8 (0.53) PTPN1HDAC8NAMPT
SCHEMBL28496847 0.75 SMN1; SMN2 (0.56) ALDH1A1TSHRMAPK1LMNA

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-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 PTPN1 1082/4885HDAC8 1207/4885NAMPT 910/4885

“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.