SCHEMBL9106538

SCHEMBL9106538

C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[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
SCHEMBL9106475 1.00 GPBAR1 (0.48) GPBAR1LMNANT5ESMN1; SMN2MGAM
SCHEMBL16995400 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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11464790-B2 Triterpenoids with HIV maturation inhibitory activity ViiV Healthcare UK (No.4) Limited (GB) 2022-10-11 US disclosed
EP-3750910-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV Healthcare UK(No.4) Limited (GB) 2020-12-16 EP disclosed
US-20200360404-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2020-11-19 US disclosed
US-20200360404-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2020-11-19 US disclosed
US-10780102-B2 Triterpenoids with HIV maturation inhibitory activity VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2020-09-22 US disclosed
US-10780102-B2 Triterpenoids with HIV maturation inhibitory activity VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2020-09-22 US disclosed
EP-3129392-B1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY, SUBSTITUTED IN POSITION 3 BY A NON-AROMATIC RING CARRYING A HALOALKYL SUBSTITUENT VIIV HEALTHCARE UK NO 4 LTD (GB) 2020-08-05 EP disclosed
US-20190151336-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2019-05-23 US disclosed
US-20190151336-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2019-05-23 US disclosed
US-10245275-B2 Triterpenoids with HIV maturation inhibitory activity VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2019-04-02 US disclosed
US-20130210787-A1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-15 US disclosed
US-20130035318-A1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2013-02-07 US disclosed
US-20130035318-A1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2013-02-07 US disclosed
US-20120142707-A1 MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
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
US-20120142653-A1 C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-20120142653-A1 C-28 AMIDES OF 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
WO-2011153319-A1 C-28 AMIDES OF 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 (9 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-10780102-B2 Triterpenoids with HIV maturation inhibitory activity CYP51A1, CYP8B1, LSS GPBAR1 3461/4885LMNA 2625/4885NT5E 3836/4885
US-11464790-B2 Triterpenoids with HIV maturation inhibitory activity CYP51A1, CYP8B1, LSS GPBAR1 3461/4885LMNA 2625/4885NT5E 3836/4885
US-20190151336-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, CYP8B1, LSS GPBAR1 3461/4885LMNA 2625/4885NT5E 3836/4885
US-20120142707-A1 MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BET1, BIRC3, CYTH3 GPBAR1 2452/4885LMNA 1373/4885NT5E 2427/4885
US-20130035318-A1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, CDK17 GPBAR1 3478/4885LMNA 2166/4885NT5E 3874/4885
US-10245275-B2 Triterpenoids with HIV maturation inhibitory activity CYP51A1, CYP8B1, LSS GPBAR1 3461/4885LMNA 2625/4885NT5E 3836/4885
US-20120142653-A1 C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS ERG28, BET1, BRD3 GPBAR1 2177/4885LMNA 2335/4885NT5E 3212/4885
US-20130210787-A1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, ZC3HAV1, CYP8B1 GPBAR1 3813/4885LMNA 1522/4885NT5E 3898/4885
US-20200360404-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, CYP8B1, LSS GPBAR1 3461/4885LMNA 2625/4885NT5E 3836/4885

“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.