SCHEMBL8520688

SCHEMBL8520688

COc1ccc(CO[C@@H](C)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.59
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
FFAR1 O14842 3/20 0.50
HTT P42858 2/20 0.50
ATM Q13315 1/20 0.49
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
PLA2G4B P0C869 1/20 0.47
ALDH1A1 P00352 3/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
MAPT P10636 1/20 0.45
ADAMTS4 O75173 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
SCHEMBL4005029 1.00 LDHA (0.59) LDHANPC1POLBRAB9ASMN1; SMN2
SCHEMBL31234585 1.00 LDHA (0.59) LDHANPC1POLBRAB9ASMN1; SMN2
SCHEMBL19725366 0.86 HTT (0.50) LDHANPC1POLBRAB9ASMN1; SMN2
SCHEMBL19896817 0.85 HTT (0.49) LDHANPC1POLBRAB9ASMN1; SMN2
SCHEMBL15409086 0.85 HTT (0.53) LDHANPC1POLBRAB9ASMN1; SMN2
SCHEMBL4008583 0.85 HTT (0.53) LDHANPC1POLBRAB9ASMN1; SMN2
SCHEMBL13519277 0.84 LDHA (0.61) LDHANPC1POLBRAB9ASMN1; SMN2
SCHEMBL27830644 0.84 SLC7A5 (0.47) IDO1PPARGPPARA
SCHEMBL7069557 0.82 LMNA (0.52) LDHANPC1POLBRAB9ASMN1; SMN2
SCHEMBL138280 0.82 KMT2A (0.56) HTTALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866608-A AROMATIC COMPOUNDS BIORESEARCH, INC. (US) 1999-02-02 US claimed
CN-107426999-B Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2023-01-20 CN disclosed
US-11447449-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-20 US disclosed
US-20210070698-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-03-11 US disclosed
CN-107205399-B Picolinamides as fungicides 美国陶氏益农公司 2021-01-29 CN disclosed
CN-107205398-B Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2020-08-21 CN disclosed
EP-3240419-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-06 EP disclosed
US-10188109-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-01-29 US disclosed
US-20180000084-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC 2018-01-04 US disclosed
US-20170360038-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2017-12-21 US disclosed
WO-2016109303-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109302-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
US-20160108050-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-21 US disclosed
US-9273057-B2 Imidazotriazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
US-20150210697-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-30 US disclosed
EP-2872514-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2015-05-20 EP disclosed
US-20150065465-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-03-05 US disclosed
US-8940736-B2 Imidazotriazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
WO-2014011974-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-16 WO disclosed
US-20140018319-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-01-16 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 (9 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-20210070698-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT LDHA 1766/4885NPC1 3589/4885POLB 1958/4885
US-20170360038-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 LDHA 3924/4885NPC1 1093/4885POLB 3842/4885
US-20140018319-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 LDHA 3635/4885NPC1 3112/4885POLB 3131/4885
US-10188109-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 LDHA 3924/4885NPC1 1093/4885POLB 3842/4885
US-20150065465-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 LDHA 3635/4885NPC1 3112/4885POLB 3131/4885
US-20150210697-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 LDHA 3635/4885NPC1 3112/4885POLB 3131/4885
US-20160108050-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 LDHA 3635/4885NPC1 3112/4885POLB 3131/4885
US-11447449-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT LDHA 1766/4885NPC1 3589/4885POLB 1958/4885
US-20180000084-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CYP1A2, CYP51A1 LDHA 3977/4885NPC1 1282/4885POLB 3932/4885

“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.