SCHEMBL19965725

SCHEMBL19965725

CCCC(C)(C)c1ccc2sc(C)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
TRPV1 Q8NER1 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 4/20 0.44
PKM P14618 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 2/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
PDE10A Q9Y233 1/20 0.38
ESR1 P03372 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL19987536 0.88 HSD17B10 (0.51) HSD17B10TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL20306361 0.85 HSD17B10 (0.43) HSD17B10TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL13930929 0.81 HSD17B10 (0.51) HSD17B10TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL84370 0.80 TRPV1 (0.59) HSD17B10TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL25057020 0.78 POLB (0.55) HSD17B10TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL6088891 0.77 HSD17B10 (0.54) HSD17B10TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL9853857 0.76 POLB (0.56) HSD17B10TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL19987534 0.75 SMN1; SMN2 (0.51) HSD17B10TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL24037602 0.74 ALDH1A1 (0.38) HSD17B10SMN1; SMN2ALDH1A1ESR1NPSR1
SCHEMBL25056938 0.73 POLB (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210154308-A1 POLYMERIC DRUG CONJUGATES WITH TETHER GROUPS FOR CONTROLLED DRUG DELIVERY NOVARTIS AG (CH) 2021-05-27 US disclosed
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-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 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 (3 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-20210154308-A1 POLYMERIC DRUG CONJUGATES WITH TETHER GROUPS FOR CONTROLLED DRUG DELIVERY CD44, MSN, ABCB1 HSD17B10 1176/4885TRPV1 4862/4885SMN1; SMN2 1975/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT HSD17B10 844/4885TRPV1 2719/4885SMN1; SMN2 4521/4885
US-10399933-B2 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.