SCHEMBL22178702

SCHEMBL22178702

CCCCCCNC(=O)[C@H]1CCN(C(=O)c2ccc(C(=O)N3CC[C@H](C(N)=O)C3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
NAAA Q02083 1/20 0.49
GLA P06280 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TLR2 O60603 17/20 0.48
TLR1 Q15399 17/20 0.48

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
SCHEMBL22179330 1.00 GNAI3 (0.49) GNAI3GNAO1GNAI1NAAAGLA
SCHEMBL22179385 1.00 GNAI3 (0.49) GNAI3GNAO1GNAI1NAAAGLA
SCHEMBL22179103 0.93 TLR2 (0.57) TLR2TLR1
SCHEMBL22179032 0.93 TLR2 (0.57) TLR2TLR1
SCHEMBL22179120 0.91 KMT2A (0.53) NAAAGLAHSD17B10
SCHEMBL22179111 0.89 TLR2 (0.60) TLR2TLR1
SCHEMBL25021716 0.87 TLR2 (0.50) TLR2TLR1
SCHEMBL7234470 0.82 NAAA (0.55) NAAATLR2TLR1
SCHEMBL22622323 0.79 GLA (0.70) GLAHSD17B10
SCHEMBL22160653 0.78 NAAA (0.61) GNAI3GNAO1GNAI1NAAA

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-20200207742-A1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS THE SCRIPPS RESEARCH INSTITUTE 2020-07-02 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-20200207742-A1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS TLR1, TLR4, TLR2 GNAI3 2266/4885GNAO1 1783/4885GNAI1 1512/4885

“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.