SCHEMBL9891282

SCHEMBL9891282

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(C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.55
LMNA P02545 1/20 0.53
NT5E P21589 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MGAM O43451 2/20 0.52
GAA P10253 2/20 0.52
SI P14410 2/20 0.52
MGAM2 Q2M2H8 2/20 0.52
PRKCG P05129 1/20 0.52
EGLN2 Q96KS0 1/20 0.49
EGLN1 Q9GZT9 1/20 0.49
EGLN3 Q9H6Z9 1/20 0.49
P4HTM Q9NXG6 1/20 0.49

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
SCHEMBL9891292 0.90
SCHEMBL9888494 0.89 GPBAR1 (0.50) GPBAR1LMNANT5ESMN1; SMN2MGAM
SCHEMBL15967727 0.89 GPBAR1 (0.50) GPBAR1LMNANT5ESMN1; SMN2MGAM
SCHEMBL15967728 0.89 GPBAR1 (0.50) GPBAR1LMNANT5ESMN1; SMN2MGAM
SCHEMBL15981243 0.89 GPBAR1 (0.50) GPBAR1LMNANT5ESMN1; SMN2MGAM
SCHEMBL15967502 0.89 RELA (0.48) GPBAR1LMNANT5ESMN1; SMN2MGAM
SCHEMBL15967504 0.89 RELA (0.48) GPBAR1LMNANT5ESMN1; SMN2MGAM
SCHEMBL15981241 0.89 RELA (0.48) GPBAR1LMNANT5ESMN1; SMN2MGAM
SCHEMBL21435899 0.88 GPBAR1 (0.61) GPBAR1LMNANT5ESMN1; SMN2MGAM
SCHEMBL21445158 0.88 GPBAR1 (0.61) GPBAR1LMNANT5ESMN1; SMN2MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151387-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-9249180-B2 C-3 alkyl and alkenyl modified betulinic acid derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-02 US disclosed
US-8906889-B2 C-3 cycloalkenyl triterpenoids with HIV maturation inhibitory activity BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-09 US disclosed
US-20140343000-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2014-11-20 US disclosed
US-8889854-B2 C-17 bicyclic amines of triterpenoids with HIV maturation inhibitory activity BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 US disclosed
US-8846647-B2 C-17 and C-3 modified triterpenoids with HIV maturation inhibitory activity BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 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-8802661-B2 C-28 amides of modified C-3 betulinic acid derivatives as HIV maturation inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-12 US disclosed
US-20140221361-A1 C-19 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2014-08-07 US disclosed
US-20130296554-A1 C-17 BICYCLIC AMINES OF TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2013-11-07 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-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

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

For each of this compound's patents that has machine-readable text (8 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-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-20140221361-A1 C-19 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, CYP4A22 GPBAR1 3608/4885LMNA 2635/4885NT5E 4041/4885
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-20130296554-A1 C-17 BICYCLIC AMINES OF TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, CDK17, UGT2B17 GPBAR1 1757/4885LMNA 2123/4885NT5E 2524/4885
US-20160151387-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, HSD17B7 GPBAR1 3675/4885LMNA 2154/4885NT5E 3631/4885
US-20130210787-A1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, ZC3HAV1, CYP8B1 GPBAR1 3813/4885LMNA 1522/4885NT5E 3898/4885
US-20140343000-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, HSD17B7 GPBAR1 3675/4885LMNA 2154/4885NT5E 3631/4885

“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.