SCHEMBL13637643

SCHEMBL13637643

CCCC1(C(=O)NCCc2cccc(C(=O)NCc3ccc(C(=O)OC)cn3)c2)CC[C@]2(C)C(CCC3C4(C)CCC(=O)C(C)(C)C4CCC32C)C1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 8/20 0.33
▸ GPBAR1 Q8TDU6 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NT5E P21589 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ ACP1 P24666 1/20 0.33
▸ PARP1 P09874 4/20 0.32
▸ KDM5B Q9UGL1 1/20 0.31
▸ RORC P51449 1/20 0.31

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
SCHEMBL13637653 0.90 TRPV1 (0.38) ROCK2PTPN1RORC
SCHEMBL13628261 0.85 GPBAR1 (0.51) GPBAR1LMNANT5ESMN1; SMN2RORC
SCHEMBL4444101 0.85 GPBAR1 (0.51) GPBAR1LMNANT5ESMN1; SMN2RORC
SCHEMBL13637642 0.84 LMNA (0.41) GPBAR1LMNANT5ESMN1; SMN2PTPN1
SCHEMBL13637475 0.84 RORC (0.38) PTPN1RORC
SCHEMBL13637644 0.80 GPBAR1 (0.38) GPBAR1POLBLMNANT5ESMN1; SMN2
SCHEMBL13637774 0.80 RORC (0.37) ROCK2PTPN1RORC
SCHEMBL13637490 0.80 RORC (0.40) PTPN1RORC
SCHEMBL4441761 0.79 GPBAR1 (0.53) GPBAR1LMNANT5ESMN1; SMN2RORC
SCHEMBL13637669 0.79 GPBAR1 (0.53) GPBAR1LMNANT5ESMN1; SMN2RORC

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-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-05 — — 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-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, ZC3HAV1, EIF2AK2 ROCK2 3565/4885GPBAR1 3262/4885POLB 117/4885

“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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