SCHEMBL21677057

SCHEMBL21677057

CC(C)CC(=O)N1CCC(C(C)CCC(C)C(=O)N2CCC(C(C)C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PTPN1 P18031 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ EPHX2 P34913 4/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ DPP4 P27487 5/20 0.35
▸ DPP8 Q6V1X1 2/20 0.35
▸ DPP9 Q86TI2 2/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL20997581 0.91 ALDH1A1 (0.44) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL12384441 0.84 POLB (0.56) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL17471229 0.78 POLB (0.49) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL15247326 0.78 EPHX2 (0.44) CYP2C19EPHX2DPP4DPP8DPP9
SCHEMBL23308180 0.76 DPP4 (0.43) EPHX2DPP4DPP8DPP9DPP7
SCHEMBL20192242 0.76 PTPN1 (0.44) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL22874720 0.74 EPHX2 (0.58) EPHX2DPP4DPP8DPP9
SCHEMBL15247300 0.74 EPHX2 (0.58) EPHX2DPP4DPP8DPP9
SCHEMBL25091884 0.73 JAK2 (0.37) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL15474138 0.73 EPHX2 (0.45) CYP2C19EPHX2DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2020-02-06 — — 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-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA POLB 4110/4885NPSR1 721/4885L3MBTL1 4638/4885

“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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