SCHEMBL14962808

SCHEMBL14962808

CCC(C)(C)C(=O)[C@H](Cc1cnc[nH]1)NC(C)(CC)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 2/20 0.41
▸ ICAM1 P05362 2/20 0.41
▸ ITGAL P20701 2/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ SLC7A5 Q01650 1/20 0.40
▸ QPCT Q16769 1/20 0.39
▸ QPCTL Q9NXS2 1/20 0.39
▸ SLC6A5 Q9Y345 1/20 0.39
▸ CPB2 Q96IY4 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HRH3 Q9Y5N1 5/20 0.38
▸ HRH4 Q9H3N8 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ LMNA P02545 1/20 0.37

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
SCHEMBL18552977 0.92 ITGB2 (0.41) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL16802380 0.92 ITGB2 (0.41) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL18159672 0.90 ITGB2 (0.42) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL18159671 0.90 ITGB2 (0.42) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL18375958 0.86 ITGB2 (0.41) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL18786594 0.86 ITGB2 (0.41) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL17570989 0.84 ITGB2 (0.39) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL20661666 0.83 ITGB2 (0.41) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL17750695 0.82 HRH3 (0.40) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL15691407 0.82 HRH3 (0.40) ITGB2ICAM1ITGALCYP3A4SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9080171-B2 Reduced size self-delivering RNAi compounds RXi Parmaceuticals Corporation (US) 2015-07-14 — — US disclosed
US-20130131141-A1 REDUCED SIZE SELF-DELIVERING RNAI COMPOUNDS PHIO PHARMACEUTICALS CORP. 2013-05-23 — — US disclosed
US-20130131142-A1 RNA INTERFERENCE IN OCULAR INDICATIONS PHIO PHARMACEUTICALS CORP. 2013-05-23 — — 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-20130131142-A1 RNA INTERFERENCE IN OCULAR INDICATIONS RXRA, RXRB, RXRG ITGB2 846/4885ICAM1 3080/4885ITGAL 1284/4885

“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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