SCHEMBL1626481

SCHEMBL1626481

CC(C)(C(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.51
AKR1C2 P52895 2/20 0.51
TSHR P16473 2/20 0.48
APP P05067 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SSTR4 P31391 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
CYP2C19 P33261 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAP4K4 O95819 1/20 0.41
SRD5A2 P31213 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP19A1 P11511 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
SCHEMBL9063833 0.85 AKR1C3 (0.49) AKR1C3AKR1C2APPKMT2ASMN1; SMN2
SCHEMBL9577430 0.85 TSHR (0.45) AKR1C3AKR1C2TSHRMEN1KMT2A
SCHEMBL602699 0.84 TSHR (0.48) AKR1C3AKR1C2TSHRMEN1KMT2A
SCHEMBL1627092 0.84 TSHR (0.48) AKR1C3AKR1C2TSHRMEN1KMT2A
SCHEMBL1626272 0.83 AKR1C3 (0.63) AKR1C3AKR1C2TSHRAPPMEN1
SCHEMBL1627422 0.83 AKR1C3 (0.63) AKR1C3AKR1C2APPSLC22A12CYP2C19
SCHEMBL2348384 0.82 TSHR (0.47) AKR1C2TSHRMEN1KMT2ASSTR4
SCHEMBL8443184 0.82 KMT2A (0.52) AKR1C2TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL11068938 0.81 CYP1A2 (0.53) TSHRMEN1KMT2ASMN1; SMN2SSTR4
SCHEMBL29949091 0.81 CYP1A2 (0.53) TSHRMEN1KMT2ASMN1; SMN2SSTR4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014186704-A2 NOVEL COMPOUNDS FOR THE TREATMENT OF CYSTIC FIBROSIS N30 PHARMACEUTICALS, INC. (US) 2014-11-20 WO disclosed
US-7928139-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2011-04-19 US disclosed
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2010-07-01 US disclosed
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2010-07-01 US disclosed
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2010-07-01 US disclosed
US-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2010-02-25 US disclosed
US-7635715-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-12-22 US disclosed
EP-2111399-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF Amgen Inc. (US) 2009-10-28 EP disclosed
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2009-05-07 US disclosed
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2009-05-07 US disclosed
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-04-09 US disclosed
WO-2008076427-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2008-06-26 WO disclosed
WO-2007006546-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS DEVGEN N.V. (BE) 2007-01-18 WO disclosed
US-4898608-A Pyridylthio-acylanilide herbicides BAYER AKTIENGESELLSCHAFT (DE) 1990-02-06 US disclosed
US-4797146-A INSECTICIDES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-01-10 US disclosed
EP-0243868-A2 Pyridylthio-acylanilides BAYER AG (DE) 1987-11-04 EP disclosed
EP-0226885-A1 Pyrimidylmercapto-acylanilides BAYER AG (DE) 1987-07-01 EP disclosed
US-4627871-A Herbicidal 2-[4-substituted carboxyamino-phenoxy (or phenyl mercapto)]-substituted pyrimidines BAYER AKTIENGESELLSCHAFT (DE) 1986-12-09 US disclosed
EP-0168608-A2 Substituted carboxylic-acid anilides BAYER AG (DE) 1986-01-22 EP disclosed
US-4107439-A Process for preparing arylalkanoic acid derivatives THE UPJOHN COMPANY (US) 1978-08-15 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 (4 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-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF EGLN2, EGLN3, HIF1AN AKR1C3 382/4885AKR1C2 272/4885TSHR 4328/4885
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof EGLN2, EGLN3, HIF1AN AKR1C3 382/4885AKR1C2 272/4885TSHR 4328/4885
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 AKR1C3 493/4885AKR1C2 405/4885TSHR 1684/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 AKR1C3 493/4885AKR1C2 405/4885TSHR 1684/4885

“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.