SCHEMBL2890797

SCHEMBL2890797

CC(=O)Nc1ccc(Cl)cc1CNc1ccccc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 1/20 0.45
P2RY1 P47900 5/20 0.43
L3MBTL1 Q9Y468 5/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL2888424 0.91 HTR2A (0.45) L3MBTL1LMNASMN1; SMN2SLC6A4ALDH1A1
SCHEMBL2884655 0.89 SLC6A2 (0.48) P2RY1L3MBTL1LMNASMN1; SMN2SLC6A2
SCHEMBL2884685 0.84 L3MBTL1 (0.43) PNLIPL3MBTL1LMNASLC6A4ALDH1A1
SCHEMBL2888605 0.83 HTR2A (0.51) L3MBTL1LMNASMN1; SMN2SLC6A2SLC6A4
SCHEMBL13067958 0.83 L3MBTL1 (0.42) PNLIPL3MBTL1LMNASMN1; SMN2SLC6A4
SCHEMBL2892860 0.81 SLC6A2 (0.50) L3MBTL1LMNASMN1; SMN2SLC6A2SLC6A4
SCHEMBL12952688 0.81 P2RY1 (0.58) P2RY1L3MBTL1LMNASMN1; SMN2SLC6A2
SCHEMBL2885398 0.80 L3MBTL1 (0.47) PNLIPL3MBTL1LMNASLC6A4ALDH1A1
SCHEMBL2890483 0.79 HTR2A (0.49) PNLIPL3MBTL1LMNASMN1; SMN2SLC6A4
SCHEMBL2892580 0.77 RAB9A (0.47) L3MBTL1LMNASMN1; SMN2SLC6A4ALDH1A1

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
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
EP-2220026-A2 INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2010-08-25 EP 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 PNLIP 2520/4885P2RY1 4597/4885L3MBTL1 2881/4885

“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.