SCHEMBL820044

SCHEMBL820044

Cc1ccc(Cl)cc1OBO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
CYP3A4 P08684 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.40
EPAS1 Q99814 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
TSHR P16473 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL14825200 0.84 TSHR (0.49) CYP3A4MRGPRX4TSHRHTR2AHTR2C
SCHEMBL4289243 0.83 CYP3A4 (0.45) PTGDR2CYP3A4EPAS1TRPV4TSHR
SCHEMBL12434789 0.79 TP53 (0.48) CYP3A4MRGPRX4TSHRSMN1; SMN2TDP1
SCHEMBL11959678 0.79 TSHR (0.49) TSHRHTR2BSMN1; SMN2TDP1CYP1A2
SCHEMBL15031950 0.78 HTR3E (0.45) MRGPRX4TRPV4KDM4ESLC6A4MEN1
SCHEMBL15031545 0.78 TTR (0.46) MRGPRX4TRPV4TDP1SLC6A4KCNH2
SCHEMBL17752348 0.78 MAOB (0.42) CYP3A4TSHRHTR2BSMN1; SMN2ALOX15
SCHEMBL12918470 0.77 MAPT (0.53) MRGPRX4TSHRSMN1; SMN2TDP1TP53
SCHEMBL26191596 0.76 TDP1 (0.37) TSHRSMN1; SMN2TDP1TP53LMNA
SCHEMBL5422262 0.74 CYP3A4 (0.48) CYP3A4TSHRHTR2ASMN1; SMN2TDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180051021-A1 BICYCLIC KETONE SULFONAMIDE COMPOUNDS AMGEN INC. (US) 2018-02-22 US disclosed
US-20180053903-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-02-22 US disclosed
US-9458152-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2016-10-04 US disclosed
US-9212182-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2015-12-15 US disclosed
US-20140371201-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. 2014-12-18 US disclosed
US-20140058106-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2014-02-27 US disclosed
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-03-03 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 (5 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-20180053903-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device AOX1, RECQL, SQOR PTGDR2 1476/4885CYP3A4 387/4885MRGPRX4 1009/4885
US-20140058106-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PFAS, ODC1, AOC1 PTGDR2 3762/4885CYP3A4 886/4885MRGPRX4 3381/4885
US-20140371201-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS SCN7A, TRPV1, TRPV5 PTGDR2 1659/4885CYP3A4 1804/4885MRGPRX4 448/4885
US-20180051021-A1 BICYCLIC KETONE SULFONAMIDE COMPOUNDS TRPV1, TRPA1, KCNJ11 PTGDR2 2084/4885CYP3A4 993/4885MRGPRX4 798/4885
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PFAS, ODC1, AOC1 PTGDR2 3762/4885CYP3A4 886/4885MRGPRX4 3381/4885

“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.