SCHEMBL21707922

SCHEMBL21707922

CC(C)OC(=O)c1cc(OC(C)C)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
CA12 O43570 6/20 0.46
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA7 P43166 6/20 0.46
CA9 Q16790 6/20 0.46
CA14 Q9ULX7 6/20 0.46
PARP10 Q53GL7 1/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
KMT2A Q03164 1/20 0.43
GLA P06280 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 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
SCHEMBL3720784 0.87 ALDH1A1 (0.57) ALDH1A1PARP10KMT2AGLAKDM4E
SCHEMBL3726990 0.83 ALDH1A1 (0.71) ALDH1A1PARP10KMT2AGLAKDM4E
SCHEMBL27157132 0.79 CA12 (0.45) ALDH1A1CA12CA1CA2CA7
SCHEMBL23867196 0.78 ALDH1A1 (0.50) ALDH1A1PARP10KMT2AGLAGAA
SCHEMBL12481743 0.78 CA12 (0.75) ALDH1A1CA12CA1CA2CA7
SCHEMBL26109824 0.77 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL6299310 0.77 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL10879334 0.76 CRHBP (0.56) ALDH1A1CRHBPCRHR2KMT2AKDM4E
SCHEMBL267611 0.75 KDM4E (0.55) ALDH1A1CA12CA1CA2CA7
SCHEMBL29979726 0.75 ALDH1A1 (0.63) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030857-B2 Glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2024-07-09 US disclosed
US-12030857-B2 Glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2024-07-09 US disclosed
US-11071735-B2 Treatment of inflammatory conditions and autoimmune diseases with glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2021-07-27 US disclosed
US-20200046702-A1 TREATMENT OF INFLAMMATORY CONDITIONS AND AUTOIMMUNE DISEASES WITH GLUCOSE UPTAKE INHIBITORS KADMON CORPORATION, LLC 2020-02-13 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-12030857-B2 Glucose uptake inhibitors SLC2A1, SLC2A4, SLC2A2 ALDH1A1 1422/4885CA12 2921/4885CA1 3982/4885
US-11071735-B2 Treatment of inflammatory conditions and autoimmune diseases with glucose uptake inhibitors SLC2A3, SLC2A4, SLC2A1 ALDH1A1 1987/4885CA12 2045/4885CA1 2123/4885
US-20200046702-A1 TREATMENT OF INFLAMMATORY CONDITIONS AND AUTOIMMUNE DISEASES WITH GLUCOSE UPTAKE INHIBITORS SLC2A3, SLC2A4, SLC2A1 ALDH1A1 1987/4885CA12 2045/4885CA1 2123/4885

“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.