SCHEMBL2558458

SCHEMBL2558458

O=CC(C=O)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.41
TSHR P16473 4/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 3/20 0.39
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
IDO2 Q6ZQW0 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 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
SCHEMBL11484148 0.87 ACP3 (0.37) ACP3TSHRLMNATDP1ALDH1A1
SCHEMBL7727749 0.81 ACP3 (0.41) ACP3TSHRLMNATDP1ALDH1A1
SCHEMBL7987419 0.79 TSHR (0.42) ACP3TSHRLMNATDP1ALDH1A1
SCHEMBL4840134 0.77 ACP3 (0.43) ACP3TSHRLMNATDP1ALDH1A1
SCHEMBL22445608 0.77 ACP3 (0.39) ACP3TSHRLMNATDP1ALDH1A1
SCHEMBL7038606 0.77 ADRB2 (0.42) ACP3TSHRLMNATDP1ALDH1A1
SCHEMBL38142 0.77 ACP3 (0.39) ACP3TSHRLMNATDP1ALDH1A1
SCHEMBL17749156 0.76 ADRB2 (0.41) ACP3TSHRLMNATDP1ALDH1A1
SCHEMBL1515735 0.74 ACP3 (0.49) ACP3TSHRLMNATDP1ALDH1A1
SCHEMBL7575571 0.73 TP53 (0.50) TSHRLMNATDP1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-3495359-A1 FLAP MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed
EP-3070085-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
EP-2951170-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-24 EP disclosed
US-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 US disclosed
EP-3070085-A1 FLAP MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-09-21 EP disclosed
US-20150376212-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-31 US disclosed
EP-1572300-A1 COMBINATION FOR THE TREATMENT OF ADHD Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP disclosed
EP-1572205-A2 TREATMENT OF DISEASES WITH COMBINATIONS OF ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS AND OTHER COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP disclosed
EP-1542999-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY Pharmacia & Upjohn Company LLC (US) 2005-06-22 EP disclosed
US-20050107425-A1 Treatment of attention defecit hyperactivity disorder PFIZER INC 2005-05-19 US disclosed
WO-2004064836-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-08-05 WO disclosed
WO-2004052461-A1 COMBINATION FOR THE TREATMENT OF ADHD PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004052348-A2 TREATMENT OF DISEASES WITH COMBINATIONS OF ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS AND OTHER COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004039366-A1 NICOTINIC ACETYLCHOLINE AGONISTS IN THE TREATMENT OF GLAUCOMA AND RETINAL NEUROPATHY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 WO disclosed
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 US disclosed
WO-2004013137-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-02-12 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 (3 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-20150376212-A1 FLAP MODULATORS FEN1, PGF, TBXA2R ACP3 3818/4885TSHR 2884/4885LMNA 3880/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 ACP3 875/4885TSHR 2224/4885LMNA 3943/4885
US-20050107425-A1 Treatment of attention defecit hyperactivity disorder CHRNA7, CHRNA10, SLC18A3 ACP3 3185/4885TSHR 1841/4885LMNA 3869/4885

“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.