SCHEMBL89040

SCHEMBL89040

COC(=O)c1cncc(C(=O)OC)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.52
GAA P10253 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
GLA P06280 1/20 0.48
LMNA P02545 3/20 0.47
TSHR P16473 2/20 0.47
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA7 P43166 5/20 0.44
CA9 Q16790 5/20 0.44
CA14 Q9ULX7 5/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 1/20 0.43
GFER P55789 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
SCHEMBL28573466 0.92 ATM (0.46) ATMGAAALDH1A1KDM4EGLA
SCHEMBL21816241 0.86 GAA (0.42) ATMGAAALDH1A1KDM4EGLA
SCHEMBL16694522 0.86 GAA (0.42) ATMGAAALDH1A1KDM4EGLA
SCHEMBL10467534 0.82 ALDH1A1 (0.48) ATMGAAALDH1A1KDM4EGLA
SCHEMBL3560429 0.80 ALDH1A1 (0.47) ATMGAAALDH1A1KDM4EGLA
SCHEMBL3554938 0.80 KDM4E (0.47) ATMGAAALDH1A1KDM4EGLA
SCHEMBL9271076 0.79 CA12 (0.48) ATMGAAALDH1A1KDM4EGLA
SCHEMBL4255028 0.78 LMNA (0.44) ATMGAAALDH1A1KDM4EGLA
SCHEMBL31214158 0.77 ATM (0.47) ATMGAAALDH1A1KDM4EGLA
SCHEMBL28194744 0.77 TSHR (0.43) ATMGAAALDH1A1KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368081-B Andrographolide modified compound 黑龙江珍宝岛药业股份有限公司 2021-07-09 CN disclosed
CN-106800551-B Andrographolide modified compound 黑龙江珍宝岛药业股份有限公司 2021-05-11 CN disclosed
US-10717720-B2 Modified compound of andrographolide HEILONGJIANG ZHENBAODAO PHARMACEUTICAL CO., LTD. (CN) 2020-07-21 US disclosed
US-10717720-B2 Modified compound of andrographolide HEILONGJIANG ZHENBAODAO PHARMACEUTICAL CO., LTD. (CN) 2020-07-21 US disclosed
US-20180346438-A1 MODIFIED COMPOUND OF ANDROGRAPHOLIDE MEDSHINE DISCOVERY INC. (CN) 2018-12-06 US disclosed
EP-3381912-A1 MODIFIED COMPOUND OF ANDROGRAPHOLIDE Heilongjiang Zhenbaodao Pharmaceutical Co., Ltd. (CN) 2018-10-03 EP disclosed
WO-2017088738-A1 MODIFIED COMPOUND OF ANDROGRAPHOLIDE 南京明德新药研发股份有限公司 2017-06-01 WO disclosed
EP-2181105-B1 N5-(2-ETHOXYETHYL)-N3-(2-PYRIDINYL)-3,5-PIPERIDINEDICARBOXAMIDE DERIVATIVES FOR USE AS RENIN INHIBITORS NOVARTIS AG (CH) 2015-04-29 EP disclosed
US-8497286-B2 Organic compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
US-8497286-B2 Organic compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
EP-2420491-B1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
US-8383650-B2 Organic compounds NOVARTIS AG (CH) 2013-02-26 US disclosed
US-8383650-B2 Organic compounds NOVARTIS AG (CH) 2013-02-26 US disclosed
US-20130005770-A1 ORGANIC COMPOUNDS NOVARTIS AG 2013-01-03 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20080319018-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-12-25 US disclosed
US-20080319018-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-12-25 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 (5 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 ATM 4771/4885GAA 309/4885ALDH1A1 38/4885
US-20080319018-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 ATM 4718/4885GAA 336/4885ALDH1A1 114/4885
US-20130005770-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 ATM 4718/4885GAA 336/4885ALDH1A1 114/4885
US-10717720-B2 Modified compound of andrographolide CYP11B2, CYP11B1, DUSP23 ATM 1761/4885GAA 610/4885ALDH1A1 732/4885
US-20180346438-A1 MODIFIED COMPOUND OF ANDROGRAPHOLIDE CYP11B2, CYP11B1, DUSP23 ATM 1761/4885GAA 610/4885ALDH1A1 732/4885

“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.