Sugi Predict

Sugi Predict / Compounds / SCHEMBL9910571

SCHEMBL9910571

SCHEMBL9910571

CC[C@@H]1C[C@@H](OC(C)=O)C(C)O1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.40
▸ CHRM2 P08172 6/20 0.33
▸ CHRM1 P11229 4/20 0.33
▸ CHRM4 P08173 3/20 0.33
▸ CHRM3 P20309 3/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CHRM5 P08912 1/20 0.31

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
SCHEMBL9910570 1.00 TSHR (0.40) TSHRCHRM2CHRM1CHRM4CHRM3
SCHEMBL19705262 0.86 TSHR (0.40) TSHRCHRM2CHRM1CHRM4CHRM3
SCHEMBL20419271 0.83 CA12 (0.42) TSHRCA12CA1CA2CA9
SCHEMBL12721631 0.83 CA12 (0.42) TSHRCA12CA1CA2CA9
SCHEMBL12721608 0.83 CA12 (0.42) TSHRCA12CA1CA2CA9
SCHEMBL25947772 0.83 CA12 (0.42) TSHRCA12CA1CA2CA9
SCHEMBL9910569 0.82 TSHR (0.36) TSHRCHRM2CHRM1CHRM4CHRM3
SCHEMBL15489375 0.82 TSHR (0.36) TSHRCHRM2CHRM1CHRM4CHRM3
SCHEMBL17972374 0.82 TSHR (0.36) TSHRCHRM2CHRM1CHRM4CHRM3
SCHEMBL6974952 0.82 TSHR (0.36) TSHRCHRM2CHRM1CHRM4CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227992-B2 Method of preparing deoxyribofuranose compounds ANADYS PHARMACEUTICALS, INC. (US) 2016-01-05 — — US disclosed
US-20140350231-A1 METHOD OF PREPARING DEOXYRIBOFURANOSE COMPOUNDS ANADYS PHARMACEUTICALS INC (US) 2014-11-27 — — US disclosed
US-8829168-B2 Method of preparing deoxyribofuranose compounds ANADYS PHARMACEUTICALS, INC. (US) 2014-09-09 — — US disclosed
US-8193342-B2 Method for preparing furanose compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-06-05 — — US disclosed
US-20110288282-A1 METHOD OF PREPARING DEOXYRIBOFURANOSE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2011-11-24 — — US disclosed
US-20110172447-A1 METHOD FOR PREPARING FURANOSE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2011-07-14 — — 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 (3 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-20140350231-A1 METHOD OF PREPARING DEOXYRIBOFURANOSE COMPOUNDS DUT, DPYD, DERA TSHR 3095/4885CHRM2 4772/4885CHRM1 4700/4885
US-20110172447-A1 METHOD FOR PREPARING FURANOSE COMPOUNDS DPYD, TYMS, TST TSHR 3132/4885CHRM2 4607/4885CHRM1 4145/4885
US-20110288282-A1 METHOD OF PREPARING DEOXYRIBOFURANOSE COMPOUNDS DUT, DPYD, DERA TSHR 3095/4885CHRM2 4772/4885CHRM1 4700/4885

“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.