SCHEMBL21435975

SCHEMBL21435975

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=N\O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 10/20 0.71
▸ LMNA P02545 2/20 0.70
▸ NT5E P21589 2/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.70
▸ EGLN2 Q96KS0 1/20 0.70
▸ EGLN1 Q9GZT9 1/20 0.70
▸ EGLN3 Q9H6Z9 1/20 0.70
▸ P4HTM Q9NXG6 1/20 0.70
▸ GLI1 P08151 2/20 0.65
▸ RELA Q04206 1/20 0.65
▸ PTPN1 P18031 2/20 0.65
▸ USP2 O75604 1/20 0.65
▸ HIF1A Q16665 1/20 0.65
▸ AKR1B10 O60218 1/20 0.65
▸ ALB P02768 1/20 0.65
▸ POLB P06746 1/20 0.65
▸ AKR1B1 P15121 1/20 0.65
▸ DPP4 P27487 1/20 0.65
▸ RORC P51449 1/20 0.65
▸ SAE1 Q9UBE0 1/20 0.65

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
SCHEMBL14086933 0.92 EGLN2 (0.83) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL13293163 0.92 EGLN2 (0.83) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL21435925 0.87 GPBAR1 (0.84) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL9130000 0.86 GPBAR1 (0.75) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL3507541 0.85 GPBAR1 (0.69) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL16704981 0.85 GPBAR1 (0.69) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL13293178 0.85 GPBAR1 (0.69) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL21445186 0.84 EGLN2 (0.58) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL13814592 0.83 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL13573800 0.83 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190307776-A1 AZA-SUBSTITUTED INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2019-10-10 — — 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-20190307776-A1 AZA-SUBSTITUTED INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION CYP51A1, TYMP, TYMS GPBAR1 3745/4885LMNA 4074/4885NT5E 1361/4885

“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.

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