SCHEMBL18119903

SCHEMBL18119903

COCC/C=C\C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.52
▸ KEAP1 Q14145 1/20 0.52
▸ NFE2L2 Q16236 1/20 0.52
▸ MAPT P10636 2/20 0.37
▸ TTR P02766 1/20 0.35
▸ APP P05067 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ TYR P14679 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ GFPT1 Q06210 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ FDPS P14324 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL10608568 0.83 MAPT (0.35) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL1099878 0.81 ALDH1A1 (0.33) HCAR2KEAP1NFE2L2MAPTCA1
SCHEMBL29626505 0.81 HCAR2 (0.57) HCAR2KEAP1NFE2L2MAPTTTR
SCHEMBL17692431 0.81 HCAR2 (0.46) HCAR2KEAP1NFE2L2MAPTRAB9A
SCHEMBL28956055 0.81 MAPT (0.59) HCAR2MAPTTTRCA12CA1
SCHEMBL118792 0.79 TSHR (0.45) HCAR2MAPTAPPCA1CA9
SCHEMBL30158727 0.79 MAPT (0.33) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL169852 0.79 MAPT (0.33) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL9748238 0.79 — —
SCHEMBL10779548 0.79 — —

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 11 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
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-2016161269-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 — — WO 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
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 HCAR2 1414/4885KEAP1 309/4885NFE2L2 527/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT HCAR2 1414/4885KEAP1 309/4885NFE2L2 527/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT HCAR2 790/4885KEAP1 225/4885NFE2L2 155/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT HCAR2 790/4885KEAP1 225/4885NFE2L2 155/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT HCAR2 790/4885KEAP1 225/4885NFE2L2 155/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT HCAR2 1414/4885KEAP1 309/4885NFE2L2 527/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT HCAR2 790/4885KEAP1 225/4885NFE2L2 155/4885

“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.

Send feedback