SCHEMBL19987404

SCHEMBL19987404

CCCCC(CCC)NC(=O)Nc1ccccc1F

nearest known ligand 0.89

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.89
TAS1R1 Q7RTX1 3/20 0.89
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 2/20 0.52
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.48
EPHX2 P34913 1/20 0.46

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
SCHEMBL702640 0.94 TAS1R3 (1.00) TAS1R3TAS1R1SMN1; SMN2LMNAALDH1A1
SCHEMBL19987488 0.82 TAS1R3 (0.76) TAS1R3TAS1R1SMN1; SMN2LMNAALDH1A1
SCHEMBL702756 0.79 TAS1R3 (1.00) TAS1R3TAS1R1SMN1; SMN2ALDH1A1MEN1
SCHEMBL703261 0.77 TAS1R3 (1.00) TAS1R3TAS1R1SMN1; SMN2NPC1RAB9A
SCHEMBL11918676 0.77 TAS1R3 (0.71) TAS1R3TAS1R1SMN1; SMN2ALDH1A1POLB
SCHEMBL5923949 0.76 TAS1R3 (0.69) TAS1R3TAS1R1SMN1; SMN2LMNAALDH1A1
SCHEMBL19987535 0.76 TAS1R3 (0.67) TAS1R3TAS1R1SMN1; SMN2LMNAALDH1A1
SCHEMBL14537867 0.75 TAS1R3 (0.81) TAS1R3TAS1R1SMN1; SMN2ALDH1A1MEN1
SCHEMBL5923939 0.75 TAS1R3 (0.68) TAS1R3TAS1R1SMN1; SMN2ALDH1A1NPC1
SCHEMBL17049551 0.75 SMN1; SMN2 (0.73) TAS1R3TAS1R1SMN1; SMN2LMNAALDH1A1

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 TAS1R3 4806/4885TAS1R1 4776/4885SMN1; SMN2 4521/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT TAS1R3 4806/4885TAS1R1 4776/4885SMN1; SMN2 4521/4885

“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.