SCHEMBL967221

SCHEMBL967221

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)[C@@H](C(=O)O)[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)C12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.70
GLI1 P08151 3/20 0.56
MAPT P10636 1/20 0.56
ATM Q13315 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PRKCD Q05655 1/20 0.54
NT5E P21589 3/20 0.53
GPBAR1 Q8TDU6 3/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
HIF1A Q16665 1/20 0.53
AKR1B10 O60218 1/20 0.53
ALB P02768 1/20 0.53
POLB P06746 1/20 0.53
AKR1B1 P15121 1/20 0.53
DPP4 P27487 1/20 0.53
RORC P51449 1/20 0.53
SAE1 Q9UBE0 1/20 0.53
UBA2 Q9UBT2 1/20 0.53
CETP P11597 1/20 0.52

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
SCHEMBL965794 0.90 PTPN1 (0.58) PTPN1GLI1MAPTATMNPSR1
SCHEMBL961557 0.90 PTPN1 (0.58) PTPN1GLI1MAPTATMNPSR1
SCHEMBL16848397 0.89 PTPN1 (0.57) PTPN1GLI1MAPTATMNPSR1
SCHEMBL960779 0.89 PTPN1 (0.57) PTPN1GLI1MAPTATMNPSR1
Bevirimat SCHEMBL19480543 0.83 PTPN1 (1.00) PTPN1GLI1PRKCDNT5EGPBAR1
Bevirimat SCHEMBL12565073 0.83 PTPN1 (1.00) PTPN1GLI1PRKCDNT5EGPBAR1
Bevirimat SCHEMBL10061308 0.83 PTPN1 (1.00) PTPN1GLI1PRKCDNT5EGPBAR1
SCHEMBL12915116 0.83 PTPN1 (0.88) PTPN1GLI1PRKCDNT5EGPBAR1
Bevirimat SCHEMBL2612026 0.83 PTPN1 (1.00) PTPN1GLI1PRKCDNT5EGPBAR1
Bevirimat SCHEMBL16272373 0.83 PTPN1 (1.00) PTPN1GLI1PRKCDNT5EGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067966-B2 Lupeol-type triterpene derivatives as antivirals HETERO RESEARCH FOUNDATION, HETERO DRUGS LTD. (IN) 2015-06-30 US disclosed
US-9067966-B2 Lupeol-type triterpene derivatives as antivirals HETERO RESEARCH FOUNDATION, HETERO DRUGS LTD. (IN) 2015-06-30 US disclosed
EP-2454270-B1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2015-02-11 EP disclosed
EP-2454270-B1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2015-02-11 EP disclosed
US-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 US disclosed
US-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 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-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS MAVS, IRF3, LSS PTPN1 3935/4885GLI1 4727/4885MAPT 1492/4885

“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.