SCHEMBL23278438

SCHEMBL23278438

CC(C)Cc1ccc2c(c1)cc(C(C)(C)C)n2CC(O)CCO

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 6/20 0.42
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ NR1I2 O75469 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ DNM1 Q05193 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
SCHEMBL15096107 0.83 NR1I2 (0.43) CFTRHDAC10HDAC6NR1I2DNM1
SCHEMBL23278436 0.74 CFTR (0.40) CFTR
SCHEMBL15096108 0.73 CFTR (0.43) CFTR
SCHEMBL14845721 0.73 CFTR (0.41) CFTR
SCHEMBL12745363 0.73 NR1I2 (0.43) CFTRHDAC10HDAC6NR1I2DNM1
SCHEMBL13365257 0.72 CFTR (0.51) CFTRHDAC10HDAC6NR1I2
SCHEMBL20808194 0.71 CFTR (0.46) CFTR
SCHEMBL12745368 0.67 NR1I2 (0.42) CFTRHDAC10HDAC6NR1I2DNM1
SCHEMBL14845741 0.67 CFTR (0.41) CFTRNR1I2
SCHEMBL12827355 0.65 HDAC10 (0.39) CFTRHDAC10HDAC6NR1I2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10987348-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-27 — — 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-10987348-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CFTR 1/4885HDAC10 2755/4885HDAC6 1646/4885

“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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