SCHEMBL10465322

SCHEMBL10465322

C=C(C)C1CC[C@]2(C(=O)Cl)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OP)C(C)(C)[C@@H]5CC[C@]43C)C12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCG P05129 2/20 0.67
▸ NT5E P21589 8/20 0.64
▸ PRKCD Q05655 1/20 0.64
▸ PTPN1 P18031 3/20 0.64
▸ ALB P02768 2/20 0.64
▸ USP2 O75604 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ HIF1A Q16665 1/20 0.64
▸ AKR1B10 O60218 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ GLI1 P08151 1/20 0.64
▸ AKR1B1 P15121 1/20 0.64
▸ DPP4 P27487 1/20 0.64
▸ RORC P51449 1/20 0.64
▸ GPBAR1 Q8TDU6 1/20 0.64
▸ SAE1 Q9UBE0 1/20 0.64
▸ UBA2 Q9UBT2 1/20 0.64
▸ CETP P11597 1/20 0.62
▸ EGLN2 Q96KS0 1/20 0.61
▸ EGLN1 Q9GZT9 1/20 0.61

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
SCHEMBL12914992 0.93 PRKCG (0.69) PRKCGNT5EPRKCDPTPN1ALB
SCHEMBL12330536 0.92 PRKCG (0.68) PRKCGNT5EPRKCDPTPN1ALB
SCHEMBL12279137 0.92 PRKCG (0.79) PRKCGNT5EPRKCDPTPN1ALB
SCHEMBL13890818 0.91 NT5E (0.69) PRKCGNT5EPRKCDPTPN1CETP
SCHEMBL9130088 0.91 NT5E (0.69) PRKCGNT5EPRKCDPTPN1CETP
SCHEMBL14124010 0.91 NT5E (0.69) PRKCGNT5EPRKCDPTPN1CETP
SCHEMBL10214444 0.91 NT5E (0.69) PRKCGNT5EPRKCDPTPN1CETP
SCHEMBL14156586 0.91 NT5E (0.69) PRKCGNT5EPRKCDPTPN1CETP
SCHEMBL12557822 0.91 NT5E (0.69) PRKCGNT5EPRKCDPTPN1CETP
SCHEMBL9129432 0.91 NT5E (0.69) PRKCGNT5EPRKCDPTPN1CETP

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 12 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
US-8802727-B2 Pharmaceutically acceptable salts of betulinic acid derivatives HETERO RESEARCH FOUNDATION, HETERO DRUGS LIMITED (IN) 2014-08-12 — — US disclosed
US-8802727-B2 Pharmaceutically acceptable salts of betulinic acid derivatives HETERO RESEARCH FOUNDATION, HETERO DRUGS LIMITED (IN) 2014-08-12 — — US disclosed
US-20140221328-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF NOVEL BETULINIC ACID DERIVATIVES HETERO LABS LIMITED (IN) 2014-08-07 — — US disclosed
US-20140221328-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF NOVEL BETULINIC ACID DERIVATIVES HETERO LABS LIMITED (IN) 2014-08-07 — — US disclosed
WO-2012095705-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF NOVEL BETULINIC ACID DERIVATIVES HETERO RESEARCH FOUNDATION (IN) 2012-07-19 — — WO disclosed
US-20110218204-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF NOVEL BETULINIC ACID DERIVATIVES HETERO RESEARCH FOUNDATION, HETERO DRUGS LIMITED (IN) 2011-09-08 — — US disclosed
US-20110218204-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF NOVEL BETULINIC ACID DERIVATIVES HETERO RESEARCH FOUNDATION, HETERO DRUGS LIMITED (IN) 2011-09-08 — — US disclosed
WO-2011007230-A2 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 — — WO 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 (3 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 PRKCG 2513/4885NT5E 1020/4885PRKCD 1630/4885
US-20110218204-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF NOVEL BETULINIC ACID DERIVATIVES BET1, NFATC1, PGGT1B PRKCG 1058/4885NT5E 1694/4885PRKCD 1416/4885
US-20140221328-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF NOVEL BETULINIC ACID DERIVATIVES BET1, NFATC1, PGGT1B PRKCG 1058/4885NT5E 1694/4885PRKCD 1416/4885

“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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