SCHEMBL9106475

SCHEMBL9106475

C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC=C(OS(=O)(=O)C(F)(F)F)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.48
LMNA P02545 1/20 0.48
NT5E P21589 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MGAM O43451 2/20 0.47
GAA P10253 2/20 0.47
SI P14410 2/20 0.47
MGAM2 Q2M2H8 2/20 0.47
PRKCG P05129 1/20 0.47

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
SCHEMBL9106700 1.00 GPBAR1 (0.48) GPBAR1LMNANT5ESMN1; SMN2MGAM
SCHEMBL16995400 1.00 GPBAR1 (0.48) GPBAR1LMNANT5ESMN1; SMN2MGAM
SCHEMBL9106538 1.00 GPBAR1 (0.48) GPBAR1LMNANT5ESMN1; SMN2MGAM
SCHEMBL18124320 1.00 GPBAR1 (0.48) GPBAR1LMNANT5ESMN1; SMN2MGAM
SCHEMBL9888494 0.92 GPBAR1 (0.50) GPBAR1LMNANT5ESMN1; SMN2MGAM
SCHEMBL22779964 0.89 MGAM (0.37) MGAMGAASIMGAM2
SCHEMBL9889521 0.89 GPBAR1 (0.49) GPBAR1LMNANT5ESMN1; SMN2PRKCG
SCHEMBL9888542 0.89 GPBAR1 (0.53) GPBAR1LMNANT5ESMN1; SMN2PRKCG
SCHEMBL9105293 0.89 GPBAR1 (0.53) GPBAR1LMNANT5ESMN1; SMN2PRKCG
SCHEMBL9108591 0.88 NR1H4 (0.45) GPBAR1

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 5 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
US-9249180-B2 C-3 alkyl and alkenyl modified betulinic acid derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-02 US disclosed
US-20140243298-A1 C-3 ALKYL AND ALKENYL MODIFIED BETULINIC ACID DERIVATIVES VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2014-08-28 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140243298-A1 C-3 ALKYL AND ALKENYL MODIFIED BETULINIC ACID DERIVATIVES BET1, TMPO, PGGT1B GPBAR1 896/4885LMNA 1045/4885NT5E 2800/4885
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.