SCHEMBL17347213

SCHEMBL17347213

C[C@@]12C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1C2(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ ITGAL P20701 2/20 0.42
▸ ITGB2 P05107 1/20 0.42
▸ ICAM1 P05362 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ITGA4 P13612 1/20 0.39
▸ ITGB7 P26010 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HTR6 P50406 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34

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
SCHEMBL17347087 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAITGALITGB2
SCHEMBL22898539 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAITGALITGB2
SCHEMBL17338804 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAITGALITGB2
SCHEMBL18805127 0.93 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2LMNAITGALITGB2
SCHEMBL22898519 0.93 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2LMNAITGALITGB2
SCHEMBL20702208 0.93 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2LMNAITGALITGB2
SCHEMBL22898512 0.93 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2LMNAITGALITGB2
SCHEMBL17347395 0.93 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2LMNAITGALITGB2
SCHEMBL22898634 0.93 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2LMNAITGALITGB2
SCHEMBL18805115 0.93 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2LMNAITGALITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154941-B1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2021-01-20 — — EP disclosed
US-20190040008-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2019-02-07 — — US disclosed
US-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2017-05-04 — — US disclosed
US-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2017-05-04 — — US disclosed
WO-2015189265-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2015-12-17 — — WO 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-20190040008-A1 SMALL MOLECULE LFA-1 INHIBITORS ICAM1, VCAM1, ITGB1 ALDH1A1 153/4885SMN1; SMN2 4277/4885LMNA 3679/4885
US-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ICAM1, VCAM1, ITGB1 ALDH1A1 153/4885SMN1; SMN2 4277/4885LMNA 3679/4885

“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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