SCHEMBL12558036

SCHEMBL12558036

C=C(C)[C@@H]1CC[C@]2(C(=O)NCCc3cccnc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 14/20 0.73
▸ EGLN2 Q96KS0 1/20 0.64
▸ EGLN1 Q9GZT9 1/20 0.64
▸ EGLN3 Q9H6Z9 1/20 0.64
▸ P4HTM Q9NXG6 1/20 0.64
▸ TRPV1 Q8NER1 1/20 0.63
▸ ALB P02768 2/20 0.61
▸ PTPN1 P18031 2/20 0.61
▸ USP2 O75604 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ AKR1B10 O60218 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ GLI1 P08151 1/20 0.61
▸ AKR1B1 P15121 1/20 0.61
▸ NT5E P21589 1/20 0.61
▸ DPP4 P27487 1/20 0.61
▸ GPBAR1 Q8TDU6 1/20 0.61
▸ SAE1 Q9UBE0 1/20 0.61
▸ UBA2 Q9UBT2 1/20 0.61

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
SCHEMBL14628383 1.00 RORC (0.73) RORCEGLN2EGLN1EGLN3P4HTM
SCHEMBL12557958 0.94 RORC (0.75) RORCEGLN2EGLN1EGLN3P4HTM
SCHEMBL12558028 0.91 RORC (0.82) RORCEGLN2EGLN1EGLN3P4HTM
SCHEMBL13628225 0.91 RORC (0.73) RORCEGLN2EGLN1EGLN3P4HTM
SCHEMBL13628221 0.88 RORC (0.73) RORCEGLN2EGLN1EGLN3P4HTM
SCHEMBL13637672 0.88 RORC (0.73) RORCEGLN2EGLN1EGLN3P4HTM
SCHEMBL13628276 0.88 RORC (0.68) RORCEGLN2EGLN1EGLN3P4HTM
SCHEMBL13628262 0.86 RORC (0.67) RORCEGLN2EGLN1EGLN3P4HTM
SCHEMBL4445711 0.86 RORC (0.67) RORCEGLN2EGLN1EGLN3P4HTM
SCHEMBL12558031 0.86 RORC (0.72) RORCEGLN2EGLN1EGLN3P4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144069-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2011-06-16 — — US disclosed
US-20110144069-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2011-06-16 — — US disclosed
US-20090105203-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2009-04-23 — — US disclosed
US-20090105203-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2009-04-23 — — US disclosed
US-20080207573-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2008-08-28 — — 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 (3 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-20090105203-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, CCL11 RORC 41/4885EGLN2 332/4885EGLN1 1102/4885
US-20080207573-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, CCL11 RORC 41/4885EGLN2 332/4885EGLN1 1102/4885
US-20110144069-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, CCL11 RORC 41/4885EGLN2 332/4885EGLN1 1102/4885

“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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