SCHEMBL18110604

SCHEMBL18110604

CC(C)C1COCCN1c1ccc(B2OCC(C)(C)CO2)cc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 3/20 0.33
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
ALDH1A1 P00352 10/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
ATM Q13315 1/20 0.32
CTSB P07858 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL18110602 1.00 MAPT (0.35) MAPTKDM4EL3MBTL1LMNAMAPK1
SCHEMBL18111525 1.00 MAPT (0.35) MAPTKDM4EL3MBTL1LMNAMAPK1
SCHEMBL18112253 0.79 MAPT (0.40) MAPTKDM4EL3MBTL1LMNAMAPK1
SCHEMBL18111514 0.79 MAPT (0.40) MAPTKDM4EL3MBTL1LMNAMAPK1
SCHEMBL18111515 0.79 MAPT (0.40) MAPTKDM4EL3MBTL1LMNAMAPK1
SCHEMBL18111078 0.74 LMNA (0.37) MAPTLMNATDP1ALDH1A1GAA
SCHEMBL18111075 0.74 LMNA (0.37) MAPTLMNATDP1ALDH1A1GAA
SCHEMBL18112175 0.74 LMNA (0.38) MAPTLMNAALDH1A1GAAPOLB
SCHEMBL18112177 0.74 LMNA (0.38) MAPTLMNAALDH1A1GAAPOLB
SCHEMBL18111155 0.73 PIK3CD (0.37) MAPTKDM4EL3MBTL1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
EP-3277670-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2018-02-07 EP disclosed
EP-3277672-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2018-02-07 EP disclosed
EP-3277671-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2018-02-07 EP disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 US disclosed
WO-2016161279-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
WO-2016161286-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
WO-2016161269-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 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 (7 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-10167254-B2 IDO inhibitors IDO1, IDO2, INMT MAPT 1988/4885KDM4E 272/4885L3MBTL1 3687/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT MAPT 1988/4885KDM4E 272/4885L3MBTL1 3687/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT MAPT 3241/4885KDM4E 375/4885L3MBTL1 4405/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT MAPT 3241/4885KDM4E 375/4885L3MBTL1 4405/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT MAPT 3241/4885KDM4E 375/4885L3MBTL1 4405/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT MAPT 1988/4885KDM4E 272/4885L3MBTL1 3687/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT MAPT 3241/4885KDM4E 375/4885L3MBTL1 4405/4885

“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.