SCHEMBL8278654

SCHEMBL8278654

CC(=O)c1cc(NC(=O)c2c(Cl)cccc2Cl)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 10/20 0.60
▸ JAK2 O60674 9/20 0.60
▸ JAK1 P23458 5/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ CYP3A4 P08684 1/20 0.54
▸ TAS1R3 Q7RTX0 1/20 0.54
▸ TAS1R1 Q7RTX1 1/20 0.54
▸ TAS1R2 Q8TE23 1/20 0.54
▸ KMT2A Q03164 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ITGB1 P05556 2/20 0.51
▸ ITGA4 P13612 2/20 0.51

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
SCHEMBL13689999 0.90 TYK2 (0.56) TYK2JAK2JAK1SMN1; SMN2CYP3A4
SCHEMBL8278422 0.86 MAPT (0.63) TYK2JAK2SMN1; SMN2KMT2A
SCHEMBL13602308 0.83 SMN1; SMN2 (0.59) SMN1; SMN2KMT2A
SCHEMBL8278418 0.81 NPC1 (0.71) SMN1; SMN2KMT2A
SCHEMBL13058075 0.81 TYK2 (0.61) TYK2JAK2JAK1SMN1; SMN2CYP3A4
SCHEMBL17538444 0.79 CYP1A2 (0.62) SMN1; SMN2KMT2A
SCHEMBL7384072 0.77 TYK2 (0.65) TYK2JAK2JAK1SMN1; SMN2CYP3A4
SCHEMBL15779338 0.77 NPC1 (0.65) TYK2JAK2JAK1SMN1; SMN2CYP3A4
SCHEMBL14265186 0.76 MAPT (0.49) SMN1; SMN2TAS1R3TAS1R1KMT2A
SCHEMBL3514474 0.76 TYK2 (1.00) TYK2JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 — — US disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 — — US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 — — US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 — — US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 — — US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 — — US disclosed
WO-2005113003-A2 METHOD FOR AUGMENTING B CELL DEPLETION GENENTECH, INC. (US) 2005-12-01 — — 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-20090325962-A1 TYROSINE DERIVATIVE VCAM1, ICAM1, ITGB4 TYK2 249/4885JAK2 127/4885JAK1 214/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B TYK2 1755/4885JAK2 1231/4885JAK1 1658/4885

“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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