SCHEMBL4444101

SCHEMBL4444101

C=C(C)[C@@H]1CC[C@]2(C(=O)NCCc3cccc(C(=O)NCc4ccc(C(=O)OC)cn4)c3)CC[C@]3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CC[C@]43C)C12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 4/20 0.51
▸ LMNA P02545 1/20 0.51
▸ NT5E P21589 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.46
▸ RORC P51449 8/20 0.45
▸ EGLN2 Q96KS0 2/20 0.44
▸ EGLN1 Q9GZT9 2/20 0.44
▸ EGLN3 Q9H6Z9 2/20 0.44
▸ P4HTM Q9NXG6 2/20 0.44
▸ PRKCG P05129 1/20 0.43
▸ MGAM O43451 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SI P14410 1/20 0.42
▸ MGAM2 Q2M2H8 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
SCHEMBL13628261 1.00 GPBAR1 (0.51) GPBAR1LMNANT5ESMN1; SMN2TRPV1
SCHEMBL13637669 0.94 GPBAR1 (0.53) GPBAR1LMNANT5ESMN1; SMN2TRPV1
SCHEMBL4441761 0.94 GPBAR1 (0.53) GPBAR1LMNANT5ESMN1; SMN2TRPV1
SCHEMBL13628265 0.85 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2TRPV1
SCHEMBL13637643 0.85 ROCK2 (0.33) GPBAR1LMNANT5ESMN1; SMN2RORC
SCHEMBL13628310 0.85 RORC (0.58) GPBAR1LMNANT5ETRPV1RORC
SCHEMBL13628307 0.83 GPBAR1 (0.49) GPBAR1TRPV1RORC
SCHEMBL13637644 0.82 GPBAR1 (0.38) GPBAR1LMNANT5ESMN1; SMN2RORC
SCHEMBL13628481 0.82 RORC (0.58) TRPV1RORCEGLN2EGLN1EGLN3
SCHEMBL13637464 0.82 TRPV1 (0.48) GPBAR1TRPV1RORCEGLN2EGLN1

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 GPBAR1 3262/4885LMNA 2620/4885NT5E 304/4885

“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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