SCHEMBL18111130

SCHEMBL18111130

CCC(CC(=O)O)c1ccc(N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c(NC(=O)Nc2ccc(C)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.48
HDAC1 Q13547 1/20 0.39
KCNJ6 P48051 2/20 0.39
KCNJ3 P48549 2/20 0.39
KCNJ5 P48544 1/20 0.39
ITGB1 P05556 8/20 0.37
ITGA4 P13612 8/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LTA4H P09960 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL18112260 0.93 IDO1 (0.45) IDO1HDAC1KCNJ6KCNJ3KCNJ5
SCHEMBL18110995 0.91 IDO1 (0.47) IDO1HDAC1KCNJ6KCNJ3KCNJ5
SCHEMBL18110865 0.84 IDO1 (0.43) IDO1HDAC1SMN1; SMN2LTA4HJAK2
SCHEMBL18112731 0.84 IDO1 (0.42) IDO1HDAC1ITGB1ITGA4SMN1; SMN2
SCHEMBL18119878 0.76 IDO1 (0.49) IDO1NPC1RAB9ASMN1; SMN2
SCHEMBL18111238 0.76 IDO1 (0.49) IDO1NPC1RAB9ASMN1; SMN2
SCHEMBL18119892 0.76 IDO1 (0.49) IDO1NPC1RAB9ASMN1; SMN2
SCHEMBL18111697 0.75 IDO1 (0.48) IDO1SMN1; SMN2
SCHEMBL18111884 0.75 HDAC1 (0.42) IDO1HDAC1LTA4HJAK2JAK1
SCHEMBL19232072 0.75 IDO1 (0.44) IDO1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
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-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-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 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
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 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-2016161269-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
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 US 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 IDO1 1/4885HDAC1 67/4885KCNJ6 4129/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT IDO1 1/4885HDAC1 67/4885KCNJ6 4129/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT IDO1 1/4885HDAC1 75/4885KCNJ6 3892/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT IDO1 1/4885HDAC1 75/4885KCNJ6 3892/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT IDO1 1/4885HDAC1 75/4885KCNJ6 3892/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT IDO1 1/4885HDAC1 67/4885KCNJ6 4129/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT IDO1 1/4885HDAC1 75/4885KCNJ6 3892/4885

“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.