SCHEMBL9888587

SCHEMBL9888587

C=C(C)[C@@H]1CC[C@]2(C(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)c(F)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
NT5E P21589 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GPBAR1 Q8TDU6 1/20 0.51

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
SCHEMBL9107924 0.95 GPBAR1 (0.57) LMNANT5ESMN1; SMN2GPBAR1
SCHEMBL16510698 0.95 GPBAR1 (0.57) LMNANT5ESMN1; SMN2GPBAR1
SCHEMBL14682785 0.91
SCHEMBL12698262 0.90
SCHEMBL9888472 0.89
SCHEMBL9108732 0.89 RORC (0.55)
SCHEMBL12698298 0.88 NT5E (0.55) LMNANT5ESMN1; SMN2GPBAR1
SCHEMBL9109307 0.88
SCHEMBL14683193 0.88 NT5E (0.59) LMNANT5ESMN1; SMN2GPBAR1
SCHEMBL9888459 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754068-B2 Modified C-3 betulinic acid derivatives as HIV maturation inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-17 US disclosed
US-20120142707-A1 MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 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-20120142707-A1 MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BET1, BIRC3, CYTH3 LMNA 1373/4885NT5E 2427/4885SMN1; SMN2 4692/4885

“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.