SCHEMBL9110443

SCHEMBL9110443

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(c6ccc(C(=O)OC)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.60
PRKCG P05129 1/20 0.59
NT5E P21589 2/20 0.59
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL12698045 1.00 GPBAR1 (0.60) GPBAR1PRKCGNT5ELMNASMN1; SMN2
SCHEMBL9110039 1.00 GPBAR1 (0.60) GPBAR1PRKCGNT5ELMNASMN1; SMN2
SCHEMBL18525879 1.00 GPBAR1 (0.60) GPBAR1PRKCGNT5ELMNASMN1; SMN2
SCHEMBL9104978 1.00 GPBAR1 (0.60) GPBAR1PRKCGNT5ELMNASMN1; SMN2
SCHEMBL9888552 0.95
SCHEMBL19967462 0.93 EGLN2 (0.61)
SCHEMBL17756310 0.93
SCHEMBL9108197 0.93
SCHEMBL17755644 0.92
SCHEMBL9888601 0.92

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305962-A1 C17-ARYL SUBSTITUTED BETULINIC ACID ANALOGS VIIV Healthcare UK (No.5) Limited (GB) 2017-10-26 US disclosed
US-20170305962-A1 C17-ARYL SUBSTITUTED BETULINIC ACID ANALOGS VIIV Healthcare UK (No.5) Limited (GB) 2017-10-26 US disclosed
US-20170305962-A1 C17-ARYL SUBSTITUTED BETULINIC ACID ANALOGS VIIV Healthcare UK (No.5) Limited (GB) 2017-10-26 US disclosed
EP-2670765-B1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 4) LTD (GB) 2017-10-18 EP disclosed
EP-2670765-B1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 4) LTD (GB) 2017-10-18 EP disclosed
EP-2847208-B1 C-17 BICYCLIC AMINES OF TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-10-04 EP disclosed
EP-2847208-B1 C-17 BICYCLIC AMINES OF TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-10-04 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
EP-2576585-B1 MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-12 EP disclosed
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-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
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-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
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 (5 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 2452/4885PRKCG 1289/4885NT5E 2427/4885
US-20130035318-A1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, CDK17 GPBAR1 3478/4885PRKCG 1651/4885NT5E 3874/4885
US-20120142653-A1 C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS ERG28, BET1, BRD3 GPBAR1 2177/4885PRKCG 2159/4885NT5E 3212/4885
US-20160151387-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, HSD17B7 GPBAR1 3675/4885PRKCG 1641/4885NT5E 3631/4885
US-20170305962-A1 C17-ARYL SUBSTITUTED BETULINIC ACID ANALOGS BET1, PGGT1B, CYP51A1 GPBAR1 239/4885PRKCG 4452/4885NT5E 2828/4885

“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.