SCHEMBL26809986

SCHEMBL26809986

Cc1cccc(C)c1-c1cc(Oc2ccc(N3CCCS(=O)(=O)CC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 2/20 0.34
▸ BRD4 O60885 8/20 0.34
▸ RAD52 P43351 2/20 0.32
▸ RORC P51449 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ITK Q08881 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ BUB1B O60566 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ RET P07949 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ BRD2 P25440 1/20 0.30
▸ WEE1 P30291 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ JAK3 P52333 1/20 0.30

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
SCHEMBL24310087 0.91 ALDH1A1 (0.37) MAP4K1BRD4RAD52SMN1; SMN2KMT2A
SCHEMBL26810055 0.91 ALDH1A1 (0.37) MAP4K1BRD4RAD52SMN1; SMN2KMT2A
SCHEMBL29566685 0.91 ALDH1A1 (0.37) MAP4K1BRD4RAD52SMN1; SMN2KMT2A
SCHEMBL26810000 0.90 MAP4K1 (0.41) MAP4K1BRD4RAD52BUB1BJAK2
SCHEMBL29567227 0.90 MAP4K1 (0.43) MAP4K1BRD4RAD52BUB1BJAK2
SCHEMBL24310343 0.90 MAP4K1 (0.43) MAP4K1BRD4RAD52BUB1BJAK2
SCHEMBL24310545 0.88 KMT2A (0.38) BRD4MEN1KMT2AHSD17B10TSHR
SCHEMBL26812314 0.87 KMT2A (0.40) SMN1; SMN2MEN1POLBKMT2AHSD17B10
SCHEMBL26809994 0.87 GUSB (0.36) BRD4PIM1FLT3JAK3
SCHEMBL24310583 0.87 RIPK2 (0.38) MAP4K1BRD4FLT3JAK3

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B MAP4K1 3678/4885BRD4 1716/4885RAD52 4705/4885

“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.

Send feedback