SCHEMBL2889109

SCHEMBL2889109

CC(=O)Nc1c(CO)ccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 4/20 0.56
ABCC9 O60706 3/20 0.56
ABCC8 Q09428 3/20 0.56
KCNJ8 Q15842 3/20 0.56
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
IDO1 P14902 1/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL7746823 0.80 ABCC9 (0.56) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL1806258 0.79 ABCC9 (0.59) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL30640474 0.79 KCNJ11 (0.59) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL20194455 0.79 KCNJ11 (0.59) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL1806259 0.79 ABCC9 (0.59) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL11517897 0.78 MEN1 (0.47) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL2369773 0.78 KCNJ11 (0.57) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL8899556 0.77 ABCC9 (0.55) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL23499928 0.75 MTNR1A (0.56) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL2892422 0.75 ABCC9 (0.55) KCNJ11ABCC9ABCC8KCNJ8MEN1

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-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
CN-101918352-A Inhibitors of 17 beta-hydroxysteroid dehydrogenase STERIX LTD 2010-12-15 CN disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 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 (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-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE HSD17B13, HSD17B3, HSD3B2 KCNJ11 2573/4885ABCC9 479/4885ABCC8 457/4885

“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.