SCHEMBL24106906

SCHEMBL24106906

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 3/20 0.57
▸ ICAM1 P05362 3/20 0.57
▸ ITGAL P20701 3/20 0.57
▸ CA1 P00915 3/20 0.54
▸ CA2 P00918 3/20 0.54
▸ SLC6A5 Q9Y345 1/20 0.54
▸ CYP3A4 P08684 3/20 0.52
▸ SLC7A5 Q01650 1/20 0.52
▸ SLC15A2 Q16348 1/20 0.49
▸ CPB2 Q96IY4 1/20 0.49
▸ EPHX2 P34913 1/20 0.47
▸ AGTR2 P50052 1/20 0.46
▸ GGT1 P19440 1/20 0.46
▸ CAPN1 P07384 1/20 0.45
▸ MME P08473 1/20 0.45
▸ ECE1 P42892 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ GABRA1 P14867 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
SCHEMBL4536009 1.00 ITGB2 (0.57) ITGB2ICAM1ITGALCA1CA2
Hydrochloric Acid SCHEMBL28591529 0.99 ITGB2 (0.56) ITGB2ICAM1ITGALCA1CA2
SCHEMBL28274103 0.87 ITGB2 (0.58) ITGB2ICAM1ITGALCA1CA2
SCHEMBL29160709 0.86 CYP3A4 (0.50) ITGB2ICAM1ITGALCA1CA2
SCHEMBL4535076 0.85 HTR1D (0.48) ITGB2ICAM1ITGALCA1CA2
SCHEMBL19951587 0.84 ITGB2 (0.51) ITGB2ICAM1ITGALCA1CA2
SCHEMBL27413426 0.84 ITGB2 (0.67) ITGB2ICAM1ITGALCA1CA2
SCHEMBL29222912 0.83 ITGB2 (0.46) ITGB2ICAM1ITGALSLC6A5CYP3A4
SCHEMBL6026427 0.81 ITGB2 (0.64) ITGB2ICAM1ITGALCA1CA2
SCHEMBL14952736 0.81 ITGB2 (0.61) ITGB2ICAM1ITGALCA1CA2

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-20210388142-A1 AMINO ACID-BASED POLYMERIZABLE COMPOUNDS AND OPHTHALMIC DEVICES PREPARED THEREFROM JOHNSON & JOHNSON VISION CARE, INC. 2021-12-16 — — 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-20210388142-A1 AMINO ACID-BASED POLYMERIZABLE COMPOUNDS AND OPHTHALMIC DEVICES PREPARED THEREFROM ARGLU1, BCAT2, BCAT1 ITGB2 1257/4885ICAM1 1020/4885ITGAL 887/4885

“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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