SCHEMBL19987443

SCHEMBL19987443

O=C(S)Nc1ccc(F)cc1F

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.61
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP2C19 P33261 1/20 0.57
PKM P14618 3/20 0.53
POLB P06746 3/20 0.51
EGFR P00533 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
MAPT P10636 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL27193044 0.83 RAB9A (0.77) HTTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1721489 0.82 HTT (0.64) HTTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2090307 0.82 HTT (0.62) HTTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL19987513 0.81 KMT2A (0.61) HTTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL30368278 0.80 HTT (0.61) HTTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9836305 0.80 HTT (0.61) HTTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL30148008 0.80 SMN1; SMN2 (0.67) HTTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4495054 0.80 HTT (0.61) HTTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6694651 0.80 SMN1; SMN2 (0.67) HTTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL30343207 0.80 KIF11 (0.65) HTTRAB9ANPC1SMN1; SMN2ALDH1A1

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 HTT 3300/4885RAB9A 3832/4885NPC1 2350/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT HTT 3300/4885RAB9A 3832/4885NPC1 2350/4885

“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.