SCHEMBL9109347

SCHEMBL9109347

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6cccc(NS(C)(=O)=O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.54
LMNA P02545 2/20 0.54
NT5E P21589 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MGAM O43451 1/20 0.52
GAA P10253 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
GLI1 P08151 1/20 0.51
RELA Q04206 1/20 0.51
USP2 O75604 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL16511230 1.00 GPBAR1 (0.54) GPBAR1LMNANT5ESMN1; SMN2MGAM
SCHEMBL9107828 0.88 GPBAR1 (0.55) GPBAR1LMNANT5ESMN1; SMN2MGAM
SCHEMBL16510822 0.88 GPBAR1 (0.60) GPBAR1LMNANT5ESMN1; SMN2MGAM
SCHEMBL9110951 0.87 GPBAR1 (0.59) GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL9888566 0.87 GPBAR1 (0.59) GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL16510792 0.85 LMNA (0.61) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL9105612 0.85 LMNA (0.61) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL9888513 0.84 GPBAR1 (0.56) GPBAR1LMNANT5ESMN1; SMN2MGAM
SCHEMBL9108925 0.84
SCHEMBL9888581 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576585-B1 MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-12 EP disclosed
EP-2576585-B1 MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-12 EP disclosed
US-8754068-B2 Modified C-3 betulinic acid derivatives as HIV maturation inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-17 US disclosed
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
US-20120142707-A1 MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
WO-2011153315-A1 MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-08 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-20120142707-A1 MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BET1, BIRC3, CYTH3 GPBAR1 2452/4885LMNA 1373/4885NT5E 2427/4885

“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.