SCHEMBL23787378

SCHEMBL23787378

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 3/20 0.56
▸ ICAM1 P05362 3/20 0.56
▸ ITGAL P20701 3/20 0.56
▸ CYP3A4 P08684 3/20 0.55
▸ SLC7A5 Q01650 1/20 0.55
▸ CPB2 Q96IY4 1/20 0.51
▸ SLC15A2 Q16348 1/20 0.51
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ SLC6A5 Q9Y345 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ GGT1 P19440 1/20 0.48
▸ NFKB1 P19838 2/20 0.46
▸ GABRA1 P14867 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GABRR1 P24046 1/20 0.46
▸ GABRR2 P28476 1/20 0.46
▸ GABRA5 P31644 1/20 0.46

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
SCHEMBL19483446 0.87 CYP3A4 (0.47) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL13912170 0.87 HRH3 (0.47) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL19483449 0.87 CYP3A4 (0.47) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL1697147 0.84 CYP3A4 (0.51) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL27043238 0.83 ITGB2 (0.60) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL163397 0.83 ITGB2 (0.60) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL151336 0.83 ITGB2 (0.60) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL28386295 0.83 ITGB2 (0.60) ITGB2ICAM1ITGALCYP3A4SLC7A5
Hydrochloric Acid SCHEMBL11744091 0.82 ITGB2 (0.59) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL10849873 0.82 ITGB2 (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210277050-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF EYE DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2021-09-09 — — 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-20210277050-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF EYE DISORDERS F5, OR10J3, SHBG ITGB2 725/4885ICAM1 2401/4885ITGAL 396/4885

“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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