SCHEMBL10082394

SCHEMBL10082394

C=C(C)[C@@H]1CC[C@]2(C(=O)n3ccnc3)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 2/20 0.51
▸ CCR6 P51684 1/20 0.51
▸ MBOAT4 Q96T53 1/20 0.51
▸ GPBAR1 Q8TDU6 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NT5E P21589 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ EGLN2 Q96KS0 4/20 0.43
▸ EGLN1 Q9GZT9 4/20 0.43
▸ EGLN3 Q9H6Z9 4/20 0.43
▸ P4HTM Q9NXG6 4/20 0.43
▸ GLI1 P08151 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ RORC P51449 4/20 0.41
▸ ALB P02768 2/20 0.41
▸ PTPN1 P18031 2/20 0.41
▸ USP2 O75604 1/20 0.41

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
SCHEMBL6112667 0.89 GPBAR1 (0.47) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL3434966 0.87 GPBAR1 (0.45) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL6119185 0.86 GPBAR1 (0.45) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL5442215 0.85 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL14398790 0.85 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL13351911 0.85 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL3525117 0.85 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2GLI1
Lupane Anhydride SCHEMBL3525136 0.84 GPBAR1 (0.54) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL13351877 0.84 GPBAR1 (0.54) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Lupane Anhydride SCHEMBL2141349 0.84 GPBAR1 (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778990-B2 Betulinic acid derivatives and methods of use thereof TRUSTEES OF DARTMOUTH COLLEGE (US) 2014-07-15 — — US disclosed
US-20120101149-A1 Betulinic Acid Derivatives and Methods of Use Thereof REATA PHARMACEUTICALS, INC. 2012-04-26 — — US disclosed
WO-2010053817-A1 BETULINIC ACID DERIVATIVES AND METHODS OF USE THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2010-05-14 — — 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 (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-20120101149-A1 Betulinic Acid Derivatives and Methods of Use Thereof BET1, PGGT1B, CYP3A5 NOS2 1733/4885CCR6 1080/4885MBOAT4 3063/4885

“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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