SCHEMBL19805189

SCHEMBL19805189

Clc1ncnc2c1sc1nc(N3CCOCC3)ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.51
▸ MAPK1 P28482 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ ALOX15 P16050 1/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ EEF2K O00418 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ CNR2 P34972 2/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ LIMK1 P53667 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
SCHEMBL19805201 0.84 ALOX15 (0.41) PIK3CAALOX15ADORA2AGAANPC1
SCHEMBL20467154 0.83 ALOX15 (0.40) PIK3CAKDM4EALDH1A1ALOX15GAA
SCHEMBL19805167 0.81 PIK3CA (0.60) PIK3CAMAPK1KDM4EALDH1A1USP2
SCHEMBL19805188 0.76 KDM4E (0.49) PIK3CAMAPK1KDM4EALDH1A1GAA
SCHEMBL19805182 0.73 HTR2C (0.44) PIK3CAALDH1A1ALOX15TSHRKMT2A
SCHEMBL19805196 0.72 PIK3CA (0.50) PIK3CAMAPK1KDM4EALDH1A1USP2
SCHEMBL19805199 0.70 EEF2K (0.77) KDM4EALDH1A1EEF2KGAAMAPT
SCHEMBL19805166 0.69 GUSB (0.58) PIK3CAMAPK1KDM4EALDH1A1TSHR
SCHEMBL19805136 0.69 LIMK1 (0.71) KDM4EALDH1A1ADORA2ANPC1USP2
SCHEMBL4046032 0.68 PDE4B (0.67) KDM4EALDH1A1EEF2KMAPTHPGD

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-11339178-B2 Inhibitors of microbial beta-glucuronidase enzymes and uses thereof THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2022-05-24 — — US disclosed
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-10-31 — — US disclosed
WO-2018142365-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-08-09 — — WO disclosed
WO-2018017874-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-01-25 — — WO 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-11339178-B2 Inhibitors of microbial beta-glucuronidase enzymes and uses thereof GUSB, ENGASE, MGAM PIK3CA 1949/4885MAPK1 3612/4885KDM4E 4075/4885
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF GUSB, ENGASE, MGAM PIK3CA 1949/4885MAPK1 3612/4885KDM4E 4075/4885

“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.

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