SCHEMBL22179359

SCHEMBL22179359

O=C(NCCc1ccc(F)cc1)C1CN(C(=O)[C@H]2CC[C@H](C(=O)N3CC(C(=O)NCCc4ccc(F)cc4)[C@H](C(=O)NCCc4ccc(F)cc4)C3)CC2)CC1C(=O)NCCc1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 3/20 0.71
▸ TLR1 Q15399 3/20 0.71
▸ TAAR1 Q96RJ0 2/20 0.60
▸ POLB P06746 1/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HSD17B10 Q99714 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ GPBAR1 Q8TDU6 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CASP1 P29466 1/20 0.44

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
SCHEMBL22179377 1.00 TLR2 (0.71) TLR2TLR1TAAR1POLBKMT2A
SCHEMBL22179374 1.00 TLR2 (0.71) TLR2TLR1TAAR1POLBKMT2A
SCHEMBL22179361 1.00 TLR2 (0.71) TLR2TLR1TAAR1POLBKMT2A
SCHEMBL22622464 0.90 TLR2 (0.65) TLR2TLR1TAAR1POLBKMT2A
SCHEMBL22179370 0.90 TLR2 (0.65) TLR2TLR1TAAR1POLBKMT2A
SCHEMBL22179368 0.90 TLR2 (0.65) TLR2TLR1TAAR1POLBKMT2A
SCHEMBL22622467 0.90 TLR2 (0.59) TLR2TLR1TAAR1POLBKMT2A
SCHEMBL22160600 0.85 TLR2 (0.76) TLR2TLR1TAAR1POLBKMT2A
SCHEMBL22160576 0.85 TLR2 (0.76) TLR2TLR1TAAR1POLBKMT2A
SCHEMBL22160628 0.85 TLR2 (0.76) TLR2TLR1TAAR1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040959-B2 Diprovocims: a new and potent class of TLR agonists THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-22 — — US disclosed
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 (2 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 TLR2 3/4885TLR1 1/4885TAAR1 584/4885
US-11040959-B2 Diprovocims: a new and potent class of TLR agonists TLR1, TLR4, TLR2 TLR2 3/4885TLR1 1/4885TAAR1 629/4885

“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.

Send feedback