SCHEMBL18110778

SCHEMBL18110778

O=C(O)N1C2C=C(c3ccc(F)cc3)CC1CC2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A2 P23975 2/20 0.38
CDK9 P50750 4/20 0.36
CCNT1 O60563 3/20 0.36
POLB P06746 2/20 0.35
APAF1 O14727 1/20 0.35
GRK2 P25098 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34

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
SCHEMBL23124168 0.87 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2
SCHEMBL6217469 0.86 SLC6A2 (0.38) SLC6A4SLC6A3SLC6A2POLB
SCHEMBL16097281 0.86 SLC6A3 (0.38) SLC6A4SLC6A3SLC6A2
SCHEMBL19128316 0.81 JAK1 (0.39) SLC6A4SLC6A3SLC6A2POLB
SCHEMBL6991525 0.78 SIGMAR1 (0.36) SIGMAR1SLC6A4SLC6A3CDK9CCNT1
Malonic Acid SCHEMBL5194387 0.78 SLC6A3 (0.51) SIGMAR1SLC6A4SLC6A3SLC6A2CDK9
SCHEMBL1335541 0.76 SLC6A4 (0.58) SIGMAR1SLC6A4SLC6A3SLC6A2
SCHEMBL2071679 0.75 POLB (0.52) POLB
SCHEMBL2071682 0.75 POLB (0.52) POLB
SCHEMBL23122148 0.74 SLC6A2 (0.37) SLC6A4SLC6A3SLC6A2POLB

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 8 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
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 SIGMAR1 4400/4885SLC6A4 1491/4885SLC6A3 2394/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT SIGMAR1 4400/4885SLC6A4 1491/4885SLC6A3 2394/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT SIGMAR1 3529/4885SLC6A4 874/4885SLC6A3 1502/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT SIGMAR1 3529/4885SLC6A4 874/4885SLC6A3 1502/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT SIGMAR1 3529/4885SLC6A4 874/4885SLC6A3 1502/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT SIGMAR1 4400/4885SLC6A4 1491/4885SLC6A3 2394/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT SIGMAR1 3529/4885SLC6A4 874/4885SLC6A3 1502/4885

“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.