SCHEMBL22693777

SCHEMBL22693777

CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2cc3c(cc2Cl)CN(C(=O)c2ccc4ccoc4c2)CC3)C(=O)O)c1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.79
▸ ICAM1 P05362 20/20 0.79
▸ ITGAL P20701 20/20 0.79
▸ CYP2C9 P11712 1/20 0.79

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
SCHEMBL22476509 1.00 ITGB2 (0.79) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20833712 0.91 ITGB2 (0.75) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20833868 0.91 ITGB2 (0.75) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22693776 0.89 ITGB2 (0.81) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL29386183 0.88 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL31010393 0.88 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL29355715 0.88 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL22556043 0.88 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL2632068 0.88 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL13167919 0.88 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9

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-11001574-B2 Process to obtain a tetrahydroisoquinoline derivative MEDICHEM S.A. (ES) 2021-05-11 — — US disclosed
US-20200369651-A1 A PROCESS TO OBTAIN A TETRAHYDROISOQUINOLINE DERIVATIVE MEDICHEM, S.A. (ES) 2020-11-26 — — 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-20200369651-A1 A PROCESS TO OBTAIN A TETRAHYDROISOQUINOLINE DERIVATIVE LMTK2, CYP11B2, KCNQ5 ITGB2 3633/4885ICAM1 4733/4885ITGAL 3195/4885
US-11001574-B2 Process to obtain a tetrahydroisoquinoline derivative KCNQ5, KCNQ4, KCNQ2 ITGB2 3390/4885ICAM1 4655/4885ITGAL 2789/4885

“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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