SCHEMBL19987536

SCHEMBL19987536

CCC(C)(C)c1ccc2sc(C)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.51
TRPV1 Q8NER1 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 4/20 0.47
PKM P14618 2/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 2/20 0.46
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.43
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
PDE10A Q9Y233 1/20 0.39
F2RL3 Q96RI0 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.37
CASP3 P42574 1/20 0.37

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
SCHEMBL19965725 0.88 HSD17B10 (0.49) HSD17B10TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL13930929 0.87 HSD17B10 (0.51) HSD17B10TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL19987534 0.87 SMN1; SMN2 (0.51) HSD17B10TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL13896680 0.84 F2RL3 (0.41) HSD17B10TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL84370 0.83 TRPV1 (0.59) HSD17B10TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL6088891 0.83 HSD17B10 (0.54) HSD17B10TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL20049733 0.83 RAB9A (0.46) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14641995 0.83 CASR (0.40) HSD17B10TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL20306361 0.82 HSD17B10 (0.43) HSD17B10TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL25057020 0.80 POLB (0.55) HSD17B10TRPV1SMN1; SMN2NPC1RAB9A

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 HSD17B10 844/4885TRPV1 2719/4885SMN1; SMN2 4521/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT HSD17B10 844/4885TRPV1 2719/4885SMN1; 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.