SCHEMBL18787397

SCHEMBL18787397

CC12C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)C1C2c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
TSHR P16473 1/20 0.44
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
ADRA2A P08913 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADCY2 Q08462 4/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL22898531 1.00 ITGB2 (0.44) ITGB2ICAM1ITGALTSHRCACNA1B
SCHEMBL17347214 1.00 ITGB2 (0.44) ITGB2ICAM1ITGALTSHRCACNA1B
SCHEMBL22898545 1.00 ITGB2 (0.44) ITGB2ICAM1ITGALTSHRCACNA1B
SCHEMBL17347078 1.00 ITGB2 (0.44) ITGB2ICAM1ITGALTSHRCACNA1B
SCHEMBL17347077 1.00 ITGB2 (0.44) ITGB2ICAM1ITGALTSHRCACNA1B
SCHEMBL17347156 0.87 ADCY2 (0.45) CACNA1BAPBA1ALDH1A1LMNASMN1; SMN2
SCHEMBL17347160 0.87 ADCY2 (0.45) CACNA1BAPBA1ALDH1A1LMNASMN1; SMN2
SCHEMBL22898584 0.86 ITGAL (0.48) ITGB2ICAM1ITGALTSHR
SCHEMBL22898547 0.86 ITGAL (0.48) ITGB2ICAM1ITGALTSHR
SCHEMBL18787389 0.86 ITGAL (0.48) ITGB2ICAM1ITGALTSHR

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 4 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-10077238-B2 Small molecule LFA-1 inhibitors ALLOCYTE PHARMACEUTICALS AG (CH) 2018-09-18 US disclosed
US-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2017-05-04 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 (3 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-10077238-B2 Small molecule LFA-1 inhibitors ICAM1, VCAM1, ITGB1 ITGB2 15/4885ICAM1 1/4885ITGAL 8/4885
US-20190040008-A1 SMALL MOLECULE LFA-1 INHIBITORS ICAM1, VCAM1, ITGB1 ITGB2 15/4885ICAM1 1/4885ITGAL 8/4885
US-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ICAM1, VCAM1, ITGB1 ITGB2 15/4885ICAM1 1/4885ITGAL 8/4885

“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.