SCHEMBL10127440

SCHEMBL10127440

CC(C)CC[C@H](C)COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.50
▸ CA1 P00915 4/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ TACR1 P25103 3/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ HTT P42858 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ FOLH1 Q04609 1/20 0.39

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
SCHEMBL14453899 0.86 TSHR (0.61) TSHRCA1CA2CA7CA9
SCHEMBL8813772 0.86 TSHR (0.47) TSHRCA1CA2CA7CA9
SCHEMBL13464527 0.85 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL13246484 0.85 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL29516747 0.85 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL172650 0.85 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL1195445 0.84 CA1 (0.50) TSHRCA1CA2CA7CA9
SCHEMBL10112073 0.84 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL19699720 0.84 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL10127339 0.82 HTT (0.47) TSHRCA1CA2CA9KMT2A

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-20120053132-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2012-03-01 — — US disclosed
US-8048871-B2 Inhibitors that when coadministered with a drug that undergoes in vivo degradation by cytochrome P450 enzyme, improves the pharmacokinetics, bioavailability and disease treatment such as of HIV, Hepatitis C virus, diabetes, epilepsy, cancer, depression; amide or sulfonamide-functional benzofurans SEQUOIA PHARMACEUTICALS, INC. (US) 2011-11-01 — — US disclosed
US-20080113945-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2008-05-15 — — 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-20080113945-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 TSHR 3663/4885CA1 1727/4885CA2 1245/4885
US-20120053132-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 TSHR 3663/4885CA1 1727/4885CA2 1245/4885

“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