SCHEMBL965794

SCHEMBL965794

C=C(C)C1CCC2(C(=O)NC(C)C(=O)O)CCC3(C)C(CCC4C5(C)C(C(=O)O)C(OC(=O)CC(C)(C)C(=O)O)C(C)(C)C5CCC43C)C12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.58
▸ NT5E P21589 3/20 0.47
▸ ALB P02768 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46
▸ GLI1 P08151 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ RORC P51449 2/20 0.44
▸ PRKCD Q05655 1/20 0.44
▸ EGLN2 Q96KS0 1/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.43
▸ EGLN3 Q9H6Z9 1/20 0.43
▸ P4HTM Q9NXG6 1/20 0.43
▸ CETP P11597 1/20 0.43
▸ F3 P13726 1/20 0.43

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
SCHEMBL961557 1.00 PTPN1 (0.58) PTPN1NT5EALBNR1H4GLI1
SCHEMBL16848397 0.92 PTPN1 (0.57) PTPN1NT5EGLI1MAPTATM
SCHEMBL960779 0.92 PTPN1 (0.57) PTPN1NT5EGLI1MAPTATM
SCHEMBL967221 0.90 PTPN1 (0.70) PTPN1NT5EALBGLI1MAPT
SCHEMBL14767367 0.84 PTPN1 (0.81) PTPN1NT5EALBNR1H4PRKCD
SCHEMBL29402973 0.77 PTPN1 (0.77) PTPN1NT5ENR1H4PRKCDCETP
SCHEMBL14156443 0.77 PTPN1 (0.77) PTPN1NT5ENR1H4PRKCDCETP
SCHEMBL14156476 0.77 PTPN1 (0.77) PTPN1NT5ENR1H4PRKCDCETP
SCHEMBL13403512 0.74 PTPN1 (0.87) PTPN1NT5ENR1H4PRKCDEGLN2
SCHEMBL14163456 0.74 PTPN1 (0.87) PTPN1NT5ENR1H4PRKCDEGLN2

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 2 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-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 3935/4885NT5E 1020/4885ALB 3481/4885

“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.

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