SCHEMBL9985662

SCHEMBL9985662

COC(=O)c1ccccc1SCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 1/20 0.44
CXCR2 P25025 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CRBN Q96SW2 1/20 0.41
LIPG Q9Y5X9 4/20 0.41
LPL P06858 3/20 0.41
MEN1 O00255 1/20 0.41
HIF1A Q16665 1/20 0.40
F11 P03951 2/20 0.40
F2 P00734 1/20 0.39

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
SCHEMBL8628655 0.79 POLB (0.65) POLBHSD17B10KMT2AL3MBTL1PKM
SCHEMBL9985580 0.78 KDM4E (0.49) POLBHSD17B10KMT2AL3MBTL1TSHR
SCHEMBL9985674 0.78 HTT (0.44) KMT2AL3MBTL1LMNAMAPTRAB9A
SCHEMBL28326285 0.77 POLB (0.58) POLBHSD17B10KMT2AL3MBTL1PKM
SCHEMBL9986473 0.75 KMT2A (0.47) HSD17B10KMT2ALMNAMAPTKDM4E
SCHEMBL9986887 0.75 KEAP1 (0.43) KMT2ATSHRKDM4EMEN1HIF1A
SCHEMBL15882304 0.73 KMT2A (0.47) KMT2AL3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL257870 0.73 LIPG (0.56) CXCR2LIPGLPLF11P4HB
SCHEMBL20562513 0.73 HIF1A (0.39) L3MBTL1TSHRLIPGLPLHIF1A
SCHEMBL15143214 0.72 HSD17B10 (0.67) POLBHSD17B10KMT2AL3MBTL1PKM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889638-B2 Stimulus-triggered prodrugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-18 US disclosed
US-8889638-B2 Stimulus-triggered prodrugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-18 US disclosed
US-8889638-B2 Stimulus-triggered prodrugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-18 US disclosed
US-20110312905-A1 STIMULUS-TRIGGERED PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-22 US disclosed
US-20110312905-A1 STIMULUS-TRIGGERED PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-22 US disclosed
US-20110312905-A1 STIMULUS-TRIGGERED PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-22 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 (1 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-20110312905-A1 STIMULUS-TRIGGERED PRODRUGS PREP, ADAM10, DNPEP POLB 3555/4885HSD17B10 1647/4885KMT2A 4143/4885

“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.