SCHEMBL20437358

SCHEMBL20437358

CCCC(C)c1ccc2sc(C)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
PKM P14618 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 2/20 0.43
OGA O60502 4/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL19987494 0.88 HSD17B10 (0.51) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14483866 0.84 PPARA (0.36) HSD17B10SMN1; SMN2NPC1RAB9AOGA
SCHEMBL21439946 0.84 SMN1; SMN2 (0.51) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31359263 0.80 SMN1; SMN2 (0.53) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL85424 0.80 SMN1; SMN2 (0.53) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL21239914 0.78 SMN1; SMN2 (0.45) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL30644691 0.78 SMN1; SMN2 (0.50) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17541679 0.78 SMN1; SMN2 (0.50) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17541632 0.78 SMN1; SMN2 (0.54) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL24512882 0.77 HSD17B10 (0.39) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1

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-10683288-B2 Epothilone B and dictyostatin analogs, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-06-16 US disclosed
US-20180215748-A1 EPOTHILONE B AND DICTYOSTATIN ANALOGS, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-08-02 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-10683288-B2 Epothilone B and dictyostatin analogs, their preparation and use DHPS, EPOR, THPO HSD17B10 830/4885SMN1; SMN2 4152/4885NPC1 3505/4885
US-20180215748-A1 EPOTHILONE B AND DICTYOSTATIN ANALOGS, THEIR PREPARATION AND USE DHPS, EPOR, THPO HSD17B10 830/4885SMN1; SMN2 4152/4885NPC1 3505/4885

“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.