SCHEMBL2788693

SCHEMBL2788693

Nc1ccc(F)c(CC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 2/20 0.42
CXCL8 P10145 2/20 0.41
AKR1B1 P15121 2/20 0.39
TSHR P16473 1/20 0.39
SRC P12931 1/20 0.39
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
THRB P10828 2/20 0.37
RECQL P46063 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
APEX1 P27695 1/20 0.37

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
SCHEMBL2298577 0.85 AKR1B1 (0.43) HPGDCYP2C19CYP2C9CXCL8AKR1B1
SCHEMBL15289490 0.83 CYP3A4 (0.38) ALDH1A1CYP3A4MAPK8
SCHEMBL14221079 0.82 HPGD (0.46) HPGDCYP2C19CYP2C9AKR1B1SRC
Malonic Acid SCHEMBL3810427 0.80 AKR1B1 (0.43) HPGDCYP2C19CYP2C9CXCL8AKR1B1
SCHEMBL29471363 0.80 TSHR (0.53) CXCL8AKR1B1TSHRHSD17B10MAPK8
SCHEMBL503667 0.80 TSHR (0.53) CXCL8AKR1B1TSHRHSD17B10MAPK8
SCHEMBL115261 0.80 MAPT (0.48) HPGDCYP2C19CYP2C9AKR1B1TSHR
SCHEMBL2745778 0.80 MAPT (0.53) HPGDCYP2C19CYP2C9AKR1B1TSHR
SCHEMBL30692089 0.80 MAPT (0.48) HPGDCYP2C19CYP2C9AKR1B1TSHR
SCHEMBL23713473 0.79 GAA (0.44) MAPTMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2022-03-17 US disclosed
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2020-09-03 US disclosed
US-20200039972-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2020-02-06 US disclosed
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2019-06-27 US disclosed
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2018-11-08 US disclosed
EP-2334301-B1 MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS MERCK SERONO SA (CH) 2018-02-14 EP disclosed
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2018-02-08 US disclosed
EP-3004097-B1 KINASE INHIBITORS CHIESI FARM SPA (IT) 2018-01-17 EP disclosed
EP-2934533-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2017-11-15 EP disclosed
EP-2393806-B1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARM INC (US) 2017-10-25 EP disclosed
US-8815872-B2 Macrocyclics pyrimidines as aurora kinase inhibitors MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
WO-2014099633-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
US-8450363-B2 Inhibitors of Jun N-terminal kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARMACEUTICALS, INC. 2013-03-21 US disclosed
CN-102365277-A Inhibitors of jun n-terminal kinase ELAN PHARM INC 2012-02-29 CN disclosed
EP-2393806-A1 INHIBITORS OF JUN N-TERMINAL KINASE Elan Pharmaceuticals Inc. (US) 2011-12-14 EP disclosed
US-20110294801-A1 MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-12-01 US disclosed
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase ELAN PHARMACETICALS, INC. 2010-12-30 US disclosed
WO-2010091310-A1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
WO-2010028116-A1 MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-03-11 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 (9 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-20200039972-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 HPGD 1999/4885CYP2C19 4427/4885CYP2C9 3780/4885
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 HPGD 1999/4885CYP2C19 4427/4885CYP2C9 3780/4885
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 HPGD 1999/4885CYP2C19 4427/4885CYP2C9 3780/4885
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 HPGD 1999/4885CYP2C19 4427/4885CYP2C9 3780/4885
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 HPGD 1999/4885CYP2C19 4427/4885CYP2C9 3780/4885
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 HPGD 1999/4885CYP2C19 4427/4885CYP2C9 3780/4885
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 HPGD 1999/4885CYP2C19 4427/4885CYP2C9 3780/4885
US-20110294801-A1 MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS AURKC, AURKA, AURKB HPGD 3911/4885CYP2C19 4134/4885CYP2C9 4252/4885
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase CHUK, MAPK6, MAPK3 HPGD 1999/4885CYP2C19 4427/4885CYP2C9 3780/4885

“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.