SCHEMBL16837890

SCHEMBL16837890

COC(=O)C(C(C)O)C1CCSCC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TSHR P16473 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
SCHEMBL9852634 0.81 TP53 (0.44) THRBSMN1; SMN2TSHR
SCHEMBL18504893 0.79 THRB (0.39) THRBCA14SMN1; SMN2TSHR
SCHEMBL7250543 0.78 DPP4 (0.38) THRBCA14SMN1; SMN2TSHR
SCHEMBL17000164 0.77 SMN1; SMN2 (0.43) THRBCA14SMN1; SMN2TSHR
SCHEMBL4366391 0.73 CA14 (0.38) THRBCA14SMN1; SMN2TSHR
SCHEMBL27866751 0.73 CA14 (0.38) THRBCA14SMN1; SMN2TSHR
SCHEMBL10369163 0.73 THRB (0.33) THRBCA14SMN1; SMN2
SCHEMBL27576930 0.70 — —
SCHEMBL27926754 0.69 THRB (0.55) THRBCA14SMN1; SMN2TSHR
SCHEMBL27737037 0.69 TP53 (0.49) THRBSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160220633-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2016-08-04 — — US disclosed
US-20160220633-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2016-08-04 — — US disclosed
US-9062092-B2 Macrocyclic inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2015-06-23 — — US disclosed
US-9062092-B2 Macrocyclic inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2015-06-23 — — 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-20160220633-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS THRB 3861/4885CA14 1713/4885SMN1; SMN2 1414/4885

“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