SCHEMBL9986019

SCHEMBL9986019

COC(=O)c1ccc(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.61
CA2 P00918 9/20 0.61
CA9 Q16790 4/20 0.51
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HKDC1 Q2TB90 1/20 0.44
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
POLB P06746 1/20 0.44
LPL P06858 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
CXCR2 P25025 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43

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
SCHEMBL9985664 0.88 CA1 (0.54) CA1CA2CA9HPGDLMNA
SCHEMBL105161 0.85 CA1 (0.50) CA1CA2CA9NPC1ALDH1A1
SCHEMBL13934091 0.82 CA1 (0.87) CA1CA2HPGDLMNANPC1
SCHEMBL16968584 0.81 LIPG (0.56) CA1CA2CA9CA12CA7
SCHEMBL9986027 0.81 CA1 (0.53) CA1CA2CA9HPGDNPC1
SCHEMBL17129341 0.80 RAB9A (0.59) CA1CA2CA9LMNANPC1
SCHEMBL2187091 0.79 CA1 (0.49) CA1CA2CA9RAB9AMAPT
SCHEMBL19862517 0.79 LIPG (0.49) CA1CA2CA9CA12CA7
SCHEMBL10269020 0.78 LPL (0.56) CA1CA2CA9CA12CA7
SCHEMBL3260125 0.78 LIPG (0.56) CA1CA2CA9ALDH1A1CA12

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 CA1 302/4885CA2 749/4885CA9 891/4885

“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.