SCHEMBL13058075

SCHEMBL13058075

CC(=O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 4/20 0.61
▸ JAK1 P23458 3/20 0.61
▸ JAK2 O60674 2/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ TAS1R3 Q7RTX0 2/20 0.60
▸ TAS1R1 Q7RTX1 2/20 0.60
▸ TAS1R2 Q8TE23 1/20 0.60
▸ KMT2A Q03164 5/20 0.59
▸ MAPT P10636 7/20 0.56
▸ RAB9A P51151 6/20 0.56
▸ NPC1 O15118 5/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ NLRP1 Q9C000 1/20 0.56
▸ POLB P06746 2/20 0.55
▸ GAA P10253 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ LMNA P02545 1/20 0.53

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
SCHEMBL9348787 0.88 RAB9A (0.58) TYK2JAK1JAK2CYP3A4TAS1R3
SCHEMBL7384072 0.83 TYK2 (0.65) TYK2JAK1JAK2CYP3A4TAS1R3
SCHEMBL12092157 0.82 SMO (0.71) TYK2JAK2KMT2AMAPTRAB9A
SCHEMBL8278654 0.81 TYK2 (0.60) TYK2JAK1JAK2CYP3A4TAS1R3
SCHEMBL4154853 0.80 TYK2 (0.71) TYK2JAK1JAK2CYP3A4TAS1R3
SCHEMBL14532180 0.79 TYK2 (0.65) TYK2JAK1JAK2CYP3A4TAS1R3
SCHEMBL95630 0.79 TYK2 (0.65) TYK2JAK1JAK2CYP3A4TAS1R3
SCHEMBL678659 0.79 KMT2A (0.67) TYK2JAK1JAK2CYP3A4TAS1R3
SCHEMBL6459176 0.78 NPC1 (0.69) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL16589425 0.77 MAPT (0.77) KMT2AMAPTRAB9ANPC1SMN1; SMN2

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-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 — — US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 — — 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-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 TYK2 2073/4885JAK1 4237/4885JAK2 4384/4885
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 TYK2 2073/4885JAK1 4237/4885JAK2 4384/4885

“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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