Sugi Predict

Sugi Predict / Compounds / SCHEMBL1809119

SCHEMBL1809119

SCHEMBL1809119

COc1cc(C(=O)O)cc2c(C3CC3)nccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA4 P22748 2/20 0.43
▸ CA6 P23280 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA14 Q9ULX7 2/20 0.43
▸ CA3 P07451 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ TPMT P51580 2/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ KDM4C Q9H3R0 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK7 Q13164 5/20 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
SCHEMBL1811920 0.87 TSHR (0.44) KMT2AHTTTSHRKDM4CALOX15
SCHEMBL1809233 0.84 GSK3A (0.36) KDM4CKDM4A
SCHEMBL1809745 0.82 CA12 (0.45) CA12CA1CA2CA4CA6
SCHEMBL1813484 0.81 PDE4B (0.40) MAPK7
SCHEMBL1811992 0.79 CA12 (0.49) CA12CA1CA2CA4CA6
SCHEMBL27185314 0.79 CA12 (0.49) CA12CA1CA2CA4CA6
SCHEMBL1810059 0.78 CA12 (0.42) CA12CA1CA2CA4CA6
SCHEMBL1812763 0.78 KDM4E (0.39) PKMKMT2AHTTTSHRKDM4C
SCHEMBL1811228 0.74 KDM4E (0.44) CA12CA1CA2CA7CA9
SCHEMBL28857298 0.73 CA1 (0.69) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910375-B1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK SHARP & DOHME (US) 2011-05-11 — — EP disclosed
US-7935712-B2 Spirochromanone derivatives as acetyl coenzyme A carboxylase (ACC) inhibitors MERCK SHARP & DOHME CORP. (US) 2011-05-03 — — US disclosed
US-20090131464-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK SHARP & DOHME LLC 2009-05-21 — — US disclosed
US-7410976-B2 Spirochromanone derivatives MERCK & CO., INC. (US) 2008-08-12 — — US disclosed
EP-1910375-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS Merck & Co., Inc. (US) 2008-04-16 — — EP disclosed
US-20070021453-A1 Novel spirochromanone derivatives MERCK SHARP & DOHME LLC 2007-01-25 — — US disclosed
WO-2007011809-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK & CO., INC. (US) 2007-01-25 — — WO disclosed
WO-2007011811-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK & CO., INC. (US) 2007-01-25 — — 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 (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-20070021453-A1 Novel spirochromanone derivatives HSD17B7, CYP11B2, CYP11B1 CA12 4381/4885CA1 4562/4885CA2 3918/4885
US-20090131464-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS ACACA, ACACB, ACAT1 CA12 3915/4885CA1 3811/4885CA2 2862/4885

“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.