SCHEMBL2620136

SCHEMBL2620136

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

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.88
PRKCD Q05655 1/20 0.69
CETP P11597 1/20 0.67
NT5E P21589 6/20 0.66
PRKCG P05129 2/20 0.60
RELA Q04206 1/20 0.60
NR1H4 Q96RI1 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
SCHEMBL2612048 0.94 PTPN1 (0.83) PTPN1PRKCDCETPNT5EPRKCG
Bevirimat SCHEMBL12465626 0.94 PTPN1 (1.00) PTPN1PRKCDCETPNT5EPRKCG
Bevirimat SCHEMBL10061308 0.94 PTPN1 (1.00) PTPN1PRKCDCETPNT5EPRKCG
Bevirimat SCHEMBL19480543 0.94 PTPN1 (1.00) PTPN1PRKCDCETPNT5EPRKCG
Bevirimat SCHEMBL12565073 0.94 PTPN1 (1.00) PTPN1PRKCDCETPNT5EPRKCG
SCHEMBL13222940 0.94 PTPN1 (0.91) PTPN1PRKCDCETPNT5EPRKCG
Bevirimat SCHEMBL2612026 0.94 PTPN1 (1.00) PTPN1PRKCDCETPNT5EPRKCG
Bevirimat SCHEMBL16272373 0.94 PTPN1 (1.00) PTPN1PRKCDCETPNT5EPRKCG
SCHEMBL14163456 0.93 PTPN1 (0.87) PTPN1PRKCDCETPNT5EPRKCG
SCHEMBL13403512 0.93 PTPN1 (0.87) PTPN1PRKCDCETPNT5EPRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101098-A1 3,28-DISUBSTITUTED BETULINIC ACID DERIVATIVES AS ANTI-HIV AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-04-26 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-20120101098-A1 3,28-DISUBSTITUTED BETULINIC ACID DERIVATIVES AS ANTI-HIV AGENTS BET1, CD4, PGGT1B PTPN1 4168/4885PRKCD 3984/4885CETP 3658/4885

“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.