SCHEMBL6692247

SCHEMBL6692247

CCCS(=O)(=O)c1ncc(OC)c(S(=O)(=O)CCC)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ SOAT1 P35610 11/20 0.34
▸ TXNRD1 Q16881 2/20 0.33
▸ UBE2N P61088 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ BRAF P15056 1/20 0.32

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
SCHEMBL5365940 0.70 LMNA (0.40) LMNATP53MAPTRAB9AKMT2A
SCHEMBL6108108 0.67 LMNA (0.47) LMNATP53MAPTMEN1RAB9A
SCHEMBL5368045 0.66 LMNA (0.44) LMNATP53MEN1RAB9AKMT2A
SCHEMBL4980062 0.64 KMT2A (0.44) LMNATP53MAPTRAB9AKMT2A
SCHEMBL11375532 0.62 LOXL2 (0.37) LMNATP53RAB9AKMT2ALOXL2
SCHEMBL6042880 0.61 KMT2A (0.45) LMNATP53MAPTMEN1NPC1
SCHEMBL1442168 0.60 MAPT (0.43) LMNATP53MAPTMEN1NPC1
SCHEMBL5365540 0.60 LMNA (0.47) LMNATP53MAPTMEN1RAB9A
SCHEMBL9360855 0.60 SMN1; SMN2 (0.43) LMNATP53MAPTMEN1NPC1
SCHEMBL5367572 0.60 KDM4E (0.40) LMNATP53MAPTMEN1KMT2A

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-6677339-B2 S-3-(4-(3,5-DICHLOROPYRID-4-YLCARBOXAMIDO)PHENYL)-2-(4,6-DIMET HOXY-1,3,5-TRIAZIN-2-YLAMINO)PROPANOIC ACID FOR EXAMPLE; INHIBIT BINDING OF ALPHA 4 INTEGRINS TO THEIR LIGANDS, FOR TREATING IMMUNE OR INFLAMMATORY DISORDERS CELLTECH R & D LIMITED (GB) 2004-01-13 — — US disclosed
US-20020028812-A1 Phenylalanine derivatives CELLTECH CHIROSCIENCE LIMITED (GB) 2002-03-07 — — 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-20020028812-A1 Phenylalanine derivatives PAH, FPR1, VCAM1 LMNA 2207/4885TP53 1412/4885MAPT 2071/4885

“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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