SCHEMBL16099458

SCHEMBL16099458

CC(C)c1ccc(CC(=O)N2CCn3nc(CCC(=O)O)cc3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 8/20 0.44
▸ FKBP1A P62942 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GRM5 P41594 9/20 0.37
▸ PPARA Q07869 1/20 0.36

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
SCHEMBL21752922 0.89 ATM (0.46) GRM5
SCHEMBL21753809 0.89 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2GRM5
SCHEMBL21756473 0.87 ALDH1A1 (0.46) ALDH1A1GRM5
SCHEMBL21753815 0.86 GRM5 (0.49) GRM5
SCHEMBL21753812 0.86 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2GRM5
SCHEMBL21753827 0.86 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2GRM5
SCHEMBL21753822 0.86 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2
SCHEMBL21753823 0.85 MAPT (0.46) ALDH1A1SMN1; SMN2GRM5
SCHEMBL21753819 0.84 KMT2A (0.48) GRM5
SCHEMBL21753808 0.84 GRM5 (0.47) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 — — US claimed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP claimed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO claimed
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 — — US disclosed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP disclosed
US-20150125422-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-05-07 — — US disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — 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-20150125422-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 PANK3 3129/4885FKBP1A 2119/4885ALDH1A1 421/4885
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 PANK3 3571/4885FKBP1A 4303/4885ALDH1A1 4063/4885

“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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