SCHEMBL2074599

SCHEMBL2074599

C[C@H](O)[C@@H](NCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MME P08473 1/20 0.52
SIGMAR1 Q99720 1/20 0.50
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
CD274 Q9NZQ7 5/20 0.46
PDCD1 Q15116 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
PSMB5 P28074 1/20 0.45

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
SCHEMBL7599136 1.00 ALDH1A1 (0.53) ALDH1A1MMESIGMAR1KMT2APOLB
SCHEMBL7293707 1.00 ALDH1A1 (0.53) ALDH1A1MMESIGMAR1KMT2APOLB
SCHEMBL31336702 1.00 ALDH1A1 (0.53) ALDH1A1MMESIGMAR1KMT2APOLB
SCHEMBL7876545 1.00 ALDH1A1 (0.53) ALDH1A1MMESIGMAR1KMT2APOLB
Hydrochloric Acid SCHEMBL28520370 0.98 ALDH1A1 (0.51) ALDH1A1MMESIGMAR1KMT2APOLB
Phosphoric Acid SCHEMBL28688921 0.94 ACP3 (0.50) ALDH1A1MMESIGMAR1KMT2APOLB
SCHEMBL400880 0.90 ALDH1A1 (0.56) ALDH1A1MMEKMT2AMEN1MAPT
SCHEMBL4854909 0.90 ALDH1A1 (0.50) ALDH1A1MMESIGMAR1KMT2APOLB
SCHEMBL14017328 0.90 ALDH1A1 (0.50) ALDH1A1MMESIGMAR1KMT2APOLB
SCHEMBL4855809 0.90 ALDH1A1 (0.50) ALDH1A1MMESIGMAR1KMT2APOLB

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-117986222-A Biphenyl seven-membered ring compound and preparation method and application thereof 华侨大学 2024-05-07 CN claimed
CN-117986222-A Biphenyl seven-membered ring compound and preparation method and application thereof 华侨大学 2024-05-07 CN disclosed
EP-3122747-B1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS NORTH & SOUTH BROTHER PHARMACY INVESTMENT CO LTD (CN) 2020-05-20 EP disclosed
EP-3122747-B1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS NORTH & SOUTH BROTHER PHARMACY INVESTMENT CO LTD (CN) 2020-05-20 EP disclosed
US-9771358-B2 Dihydropyrimidine compounds and their application in pharmaceuticals SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-09-26 US disclosed
US-9771358-B2 Dihydropyrimidine compounds and their application in pharmaceuticals SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-09-26 US disclosed
US-9771358-B2 Dihydropyrimidine compounds and their application in pharmaceuticals SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-09-26 US disclosed
US-20160347746-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-12-01 US disclosed
US-20160347746-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-12-01 US disclosed
US-20160347746-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-12-01 US disclosed
WO-2015144093-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-01 WO disclosed
EP-2470546-B1 HEXAHYDROOXAZINOPTERIDINE COMPOUNDS FOR USE AS MTOR INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-07-24 EP disclosed
US-8268819-B2 Hexahydrooxazinopterine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-18 US disclosed
US-20120178924-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-12 US disclosed
EP-2470546-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS FOR USE AS mTOR INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-07-04 EP disclosed
US-8163755-B2 Hexahydrooxazinopterine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
WO-2011025889-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS FOR USE AS mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-03 WO disclosed
US-20110053921-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-03 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-20120178924-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS HPRT1, HCCS, NUDT1 ALDH1A1 2074/4885MME 4050/4885SIGMAR1 1943/4885
US-20110053921-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS MTOR, RICTOR, EIF4EBP1 ALDH1A1 4123/4885MME 3584/4885SIGMAR1 3515/4885
US-20160347746-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS DPYD, SLC10A1, HPRT1 ALDH1A1 828/4885MME 1788/4885SIGMAR1 4738/4885

“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.