SCHEMBL21527809

SCHEMBL21527809

CN1C(=O)c2cc(F)c(Br)cc2S1(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ABCC9 O60706 2/20 0.39
ABCC8 Q09428 2/20 0.39
KCNJ11 Q14654 2/20 0.39
KCNJ8 Q15842 2/20 0.39
ACE2 Q9BYF1 1/20 0.33

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
SCHEMBL21527802 0.80 KDM4E (0.34)
SCHEMBL21798590 0.77 KMT2A (0.49) CA2CA9
SCHEMBL21527753 0.77 HPGD (0.41) CA2CA9
SCHEMBL17097221 0.72 CA9 (0.58) CA2CA9ABCC9ABCC8KCNJ11
SCHEMBL22226932 0.72 CA9 (0.58) CA2CA9ABCC9ABCC8KCNJ11
SCHEMBL13534170 0.72 CA9 (0.58) CA2CA9ABCC9ABCC8KCNJ11
SCHEMBL18152702 0.70 BRD4 (0.38) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL20172048 0.69 CA9 (0.62) CA2CA9ABCC9ABCC8KCNJ11
SCHEMBL2616776 0.67 CA9 (0.59) CA2CA9ABCC9ABCC8KCNJ11
SCHEMBL8546709 0.66 CA9 (0.53) CA2CA9ABCC9ABCC8KCNJ11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683289-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-10683289-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20190337935-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-11-07 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 (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-10683289-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, AIFM1, BCL2 CA2 4211/4885CA9 4642/4885ABCC9 2330/4885
US-20190337935-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF BAD, AIFM1, BCL2 CA2 4211/4885CA9 4642/4885ABCC9 2330/4885

“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.