SCHEMBL27133393

SCHEMBL27133393

Cc1cc2c(Br)c(OCC(Cc3ccccc3)NC(=O)O)ccc2cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.39
▸ PIN1 Q13526 2/20 0.38
▸ PRNP P04156 7/20 0.38
▸ NCEH1 Q6PIU2 2/20 0.37
▸ CTSL P07711 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ FPR3 P25089 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ RXFP1 Q9HBX9 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL27032865 1.00 MAPK1 (0.39) MAPK1PIN1PRNPNCEH1CTSL
SCHEMBL30639523 0.90 ATM (0.47) —
SCHEMBL29828809 0.90 ATM (0.47) —
SCHEMBL29096959 0.90 ATM (0.47) —
SCHEMBL30878154 0.87 ADAM17 (0.37) MAPK1NCEH1
SCHEMBL27129786 0.84 PRNP (0.46) MAPK1PRNPNCEH1CTSLNPC1
SCHEMBL27032765 0.84 PRNP (0.46) MAPK1PRNPNCEH1CTSLNPC1
SCHEMBL29096854 0.82 PRNP (0.35) MAPK1PRNPNCEH1NPC1KCNH2
SCHEMBL29096853 0.82 PRNP (0.35) MAPK1PRNPNCEH1NPC1KCNH2
SCHEMBL29096956 0.80 SCN9A (0.44) PRNPNCEH1CTSLNPC1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 — — US disclosed
WO-2024056798-A1 MACROCYCLIC CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-21 — — WO disclosed
WO-2024056791-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-21 — — WO disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 — — EP 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-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 MAPK1 2666/4885PIN1 4134/4885PRNP 4581/4885

“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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