SCHEMBL19987490

SCHEMBL19987490

CCCCCCCC(C)c1cnc(OC(C)C)nc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.35
GPR84 Q9NQS5 1/20 0.35
ACACB O00763 2/20 0.32
ACACA Q13085 1/20 0.32
OPRM1 P35372 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL19987520 0.86 ACACB (0.35) ACACBACACA
SCHEMBL19231971 0.85 SLC2A1 (0.36) SLC2A1GPR84ACACBOPRM1SPHK1
SCHEMBL19232020 0.85 SLC2A1 (0.36) SLC2A1GPR84OPRM1
SCHEMBL19231989 0.80 GPR84 (0.38) SLC2A1GPR84OPRM1SPHK1
SCHEMBL19965691 0.79 ALDH1A1 (0.35) ACACBACACA
SCHEMBL21755168 0.78 OPRM1 (0.38) SLC2A1GPR84OPRM1SPHK1
SCHEMBL19965679 0.75 GPR84 (0.35) SLC2A1GPR84OPRM1
SCHEMBL21755084 0.74 ACACB (0.36) SLC2A1GPR84ACACB
SCHEMBL21282912 0.73 TUBB4A (0.33) ACACB
SCHEMBL18885098 0.73 GPR84 (0.39) SLC2A1GPR84OPRM1SPHK1

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 2 patents. 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-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 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 (2 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-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT SLC2A1 1906/4885GPR84 1928/4885ACACB 347/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT SLC2A1 1906/4885GPR84 1928/4885ACACB 347/4885

“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.