SCHEMBL15917888

SCHEMBL15917888

CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(=O)O)CC[C@]5(C(=O)OCc5ccccc5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.62
PTPN1 P18031 4/20 0.58
ALB P02768 2/20 0.58
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58
HIF1A Q16665 1/20 0.58
AKR1B10 O60218 1/20 0.58
POLB P06746 1/20 0.58
GLI1 P08151 1/20 0.58
AKR1B1 P15121 1/20 0.58
NT5E P21589 1/20 0.58
DPP4 P27487 1/20 0.58
RORC P51449 1/20 0.58
SAE1 Q9UBE0 1/20 0.58
UBA2 Q9UBT2 1/20 0.58
F3 P13726 1/20 0.55
EGLN2 Q96KS0 1/20 0.54
EGLN1 Q9GZT9 1/20 0.54
EGLN3 Q9H6Z9 1/20 0.54
P4HTM Q9NXG6 1/20 0.54

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
SCHEMBL15918172 0.95 GPBAR1 (0.70) GPBAR1PTPN1ALBUSP2LMNA
SCHEMBL16995362 0.93 PTPN1 (0.70) GPBAR1PTPN1ALBUSP2LMNA
SCHEMBL12558298 0.93 PTPN1 (0.70) GPBAR1PTPN1ALBUSP2LMNA
SCHEMBL12593102 0.93 PTPN1 (0.70) GPBAR1PTPN1ALBUSP2LMNA
SCHEMBL5534963 0.93 PTPN1 (0.70) GPBAR1PTPN1ALBUSP2LMNA
SCHEMBL19415219 0.93 PTPN1 (0.70) GPBAR1PTPN1ALBUSP2LMNA
SCHEMBL15947458 0.91 GPBAR1 (0.56) GPBAR1PTPN1ALBUSP2LMNA
SCHEMBL18513850 0.90 RORC (0.58) GPBAR1PTPN1ALBUSP2LMNA
SCHEMBL23284128 0.89 GPBAR1 (0.69) GPBAR1
SCHEMBL22251684 0.89 GPBAR1 (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014123889-A1 C-19 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-14 WO 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-20140221361-A1 C-19 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2014-08-07 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

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-20140221361-A1 C-19 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, CYP4A22 GPBAR1 3608/4885PTPN1 4611/4885ALB 4425/4885

“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.