SCHEMBL9105293

SCHEMBL9105293

C=C(C)[C@@H]1CC[C@]2(C(=O)OC)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 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.53
NT5E P21589 4/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
EGLN2 Q96KS0 3/20 0.51
EGLN1 Q9GZT9 3/20 0.51
EGLN3 Q9H6Z9 3/20 0.51
P4HTM Q9NXG6 3/20 0.51
RELA Q04206 2/20 0.49
PRKCG P05129 2/20 0.49
GLI1 P08151 2/20 0.49
PTPN1 P18031 2/20 0.48
USP2 O75604 1/20 0.48
HIF1A Q16665 1/20 0.48
AKR1B10 O60218 1/20 0.48
ALB P02768 1/20 0.48
POLB P06746 1/20 0.48
AKR1B1 P15121 1/20 0.48
DPP4 P27487 1/20 0.48
RORC P51449 1/20 0.48

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
SCHEMBL9888542 1.00 GPBAR1 (0.53) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL9888468 0.93 GPBAR1 (0.52) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL14682826 0.93 GPBAR1 (0.55) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL17162701 0.93 GPBAR1 (0.61) GPBAR1NT5ELMNASMN1; SMN2RELA
SCHEMBL18124336 0.93 GPBAR1 (0.61) GPBAR1NT5ELMNASMN1; SMN2RELA
SCHEMBL9891372 0.93 GPBAR1 (0.55) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL9889521 0.90 GPBAR1 (0.49) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL15185806 0.89 GPBAR1 (0.51) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL9106700 0.89 GPBAR1 (0.48) GPBAR1NT5ELMNASMN1; SMN2PRKCG
SCHEMBL18124320 0.89 GPBAR1 (0.48) GPBAR1NT5ELMNASMN1; SMN2PRKCG

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 3 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-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 (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 2452/4885NT5E 2427/4885LMNA 1373/4885

“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.