Sugi Predict

Sugi Predict / Compounds / SCHEMBL23052

SCHEMBL23052

SCHEMBL23052

COc1cc(OBOc2ccc(C)c(OC)c2)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA7 P43166 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ CA14 Q9ULX7 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP1A1 P04798 4/20 0.39
▸ CYP1A2 P05177 4/20 0.39
▸ CYP1B1 Q16678 4/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ AR P10275 2/20 0.39
▸ CYP2E1 P05181 1/20 0.36
▸ CYP2C8 P10632 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP4B1 P13584 1/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ CYP3A5 P20815 1/20 0.36

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
SCHEMBL15143886 0.84 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL23744 0.83 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL2002833 0.83 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL23115 0.83 CA2 (0.67) CA12CA1CA2CA7CA9
SCHEMBL140807 0.82 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL29837419 0.82 CA12 (0.65) CA12CA1CA2CA7CA9
Ammonia Solution, Strong SCHEMBL28752425 0.80 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL29804592 0.78 TDP1 (0.44) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL177356 0.78 TDP1 (0.44) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL12003966 0.78 CA12 (0.43) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472356-B2 Bicyclic ketone sulfonamide compounds AMGEN INC. (US) 2019-11-12 — — US disclosed
EP-3265465-B1 BICYCLIC KETONE SULFONAMIDE COMPOUNDS AMGEN INC (US) 2019-04-24 — — EP disclosed
US-20180051021-A1 BICYCLIC KETONE SULFONAMIDE COMPOUNDS AMGEN INC. (US) 2018-02-22 — — US disclosed
EP-3265465-A1 BICYCLIC KETONE SULFONAMIDE COMPOUNDS Amgen Inc. (US) 2018-01-10 — — EP disclosed
EP-2609089-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2013-07-03 — — EP disclosed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 — — US disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 — — WO disclosed
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 — — US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 — — US disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 — — US disclosed
WO-2009003669-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-01-08 — — WO disclosed
EP-1899332-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2008-03-19 — — EP disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 — — US disclosed
EP-1831217-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2007-09-12 — — EP disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 — — WO disclosed
WO-2006069805-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2006-07-06 — — WO 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 (6 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO CA12 4843/4885CA1 4879/4885CA2 4786/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP CA12 4883/4885CA1 4852/4885CA2 4775/4885
US-10472356-B2 Bicyclic ketone sulfonamide compounds TRPV1, TRPA1, KCNJ11 CA12 2998/4885CA1 1692/4885CA2 356/4885
US-20180051021-A1 BICYCLIC KETONE SULFONAMIDE COMPOUNDS TRPV1, TRPA1, KCNJ11 CA12 2998/4885CA1 1692/4885CA2 356/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP CA12 4883/4885CA1 4852/4885CA2 4775/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP CA12 4883/4885CA1 4852/4885CA2 4775/4885

“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.