SCHEMBL13637784

SCHEMBL13637784

CCCC1(C(=O)NCCc2cccc(C(=O)Nc3cc(C(=O)O)ccc3N)c2)CC[C@]2(C)C(CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C1C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 10/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ ABCB1 P08183 1/20 0.34

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
SCHEMBL13637647 0.89 TRPV1 (0.40) RORCTRPV1NR1H4PTPN1ABCB1
SCHEMBL13637720 0.87 RORC (0.38) RORCTRPV1NR1H4PTPN1ABCB1
SCHEMBL13637718 0.87 RORC (0.38) RORCTRPV1NR1H4PTPN1
SCHEMBL13637475 0.85 RORC (0.38) RORCTRPV1NR1H4PTPN1
SCHEMBL13637788 0.85 TRPV1 (0.38) RORCTRPV1NR1H4PTPN1ABCB1
SCHEMBL13637675 0.85 TRPV1 (0.42) RORCTRPV1PTPN1
SCHEMBL13637591 0.84 RORC (0.39) RORCTRPV1NR1H4PTPN1GPBAR1
SCHEMBL13637470 0.84 RORC (0.39) RORCTRPV1NR1H4PTPN1GPBAR1
SCHEMBL13628402 0.84 RORC (0.57) RORCTRPV1PTPN1GPBAR1
SCHEMBL13637724 0.83 TRPV1 (0.41) RORCTRPV1NR1H4PTPN1GPBAR1

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 RORC 514/4885TRPV1 3411/4885NR1H4 1225/4885

“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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