SCHEMBL21396

SCHEMBL21396

CCc1cc(B(O)O)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.44
LPL P06858 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TAAR1 Q96RJ0 2/20 0.42
HSD17B10 Q99714 1/20 0.41
HSD17B1 P14061 1/20 0.39
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL18529899 0.85 PDE4A (0.46) ENPP2CA1CA2TAAR1HSD17B10
SCHEMBL24021238 0.84 ENPP2 (0.42) ENPP2LPLLIPGCA1CA2
SCHEMBL1024456 0.84 ENPP2 (0.46) ENPP2CA1CA2TAAR1HSD17B10
SCHEMBL18706356 0.82 ALDH1A1 (0.54) ENPP2CA1CA2MEN1ALDH1A1
SCHEMBL16293400 0.82 ENPP2 (0.41) ENPP2CA1CA2TAAR1
SCHEMBL16576656 0.81 ENPP2 (0.43) ENPP2CA1CA2TAAR1HSD17B10
SCHEMBL29954950 0.80 HTR1A (0.42) ENPP2CA1CA2ALDH1A1
SCHEMBL4652546 0.78 ENPP2 (0.42) ENPP2
SCHEMBL29953032 0.78 ALDH1A1 (0.38) ENPP2CA1CA2MEN1ALDH1A1
SCHEMBL3790779 0.78 LPL (0.52) ENPP2LPLLIPGCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018166-A1 SULFONYL UREA NLRP3 INFLAMMASOME INHIBITORS VenatoRx Pharmaceuticals, Inc. 2024-01-18 US disclosed
EP-3548478-B1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS APROS THERAPEUTICS INC (US) 2021-11-17 EP disclosed
EP-2609089-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2013-07-03 EP disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
EP-2013176-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER Sterix Limited (GB) 2009-01-14 EP disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 ENPP2 2309/4885LPL 434/4885LIPG 600/4885
US-20240018166-A1 SULFONYL UREA NLRP3 INFLAMMASOME INHIBITORS NLRP3, PYCARD, NOD1 ENPP2 3092/4885LPL 1002/4885LIPG 1562/4885

“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.