SCHEMBL2884860

SCHEMBL2884860

CC(C)Cc1ccc(C(C)C(=O)Oc2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.70
EPHX1 P07099 1/20 0.57
PTGS1 P23219 3/20 0.51
CXCR1 P25024 3/20 0.51
CXCR2 P25025 3/20 0.51
LMNA P02545 2/20 0.51
CYP2C9 P11712 2/20 0.51
AKR1C3 P42330 2/20 0.51
ALB P02768 1/20 0.51
ESR1 P03372 1/20 0.51
ALOX5 P09917 1/20 0.51
RARB P10826 1/20 0.51
ADRB3 P13945 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR2A P28223 1/20 0.51
NR1I3 Q14994 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
CXCL8 P10145 1/20 0.51
TSHR P16473 1/20 0.51
AKR1C2 P52895 1/20 0.51

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
SCHEMBL2889640 0.90 PTGS2 (0.67) PTGS2EPHX1PTGS1CXCR1CXCR2
SCHEMBL11678768 0.85 PTGS2 (0.75) PTGS2EPHX1PTGS1CXCR1CXCR2
SCHEMBL10428743 0.83 PTGS2 (0.65) PTGS2EPHX1PTGS1CXCR1CXCR2
SCHEMBL14201191 0.83 PTGS2 (0.72) PTGS2EPHX1PTGS1CXCR1CXCR2
SCHEMBL15590994 0.81 PTGS2 (0.66) PTGS2EPHX1PTGS1CXCR1CXCR2
SCHEMBL29179760 0.81 PTGS2 (0.70) PTGS2EPHX1PTGS1CXCR1CXCR2
SCHEMBL105246 0.81 EPHX1 (0.61) PTGS2EPHX1PTGS1CXCR1CXCR2
SCHEMBL11228059 0.80 PTGS2 (0.76) PTGS2EPHX1PTGS1CXCR1CXCR2
SCHEMBL13216510 0.80 ELANE (0.64) PTGS2PTGS1TSHRBLMPMP22
SCHEMBL15542640 0.79 PTGS2 (0.63) PTGS2EPHX1PTGS1CXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541398-B2 Hydrogen sulfide derivatives of non-steroidal anti-inflammatory drugs ANTIBE THERAPEUTICS INC. (CA) 2013-09-24 US disclosed
US-8541398-B2 Hydrogen sulfide derivatives of non-steroidal anti-inflammatory drugs ANTIBE THERAPEUTICS INC. (CA) 2013-09-24 US disclosed
US-8541398-B2 Hydrogen sulfide derivatives of non-steroidal anti-inflammatory drugs ANTIBE THERAPEUTICS INC. (CA) 2013-09-24 US disclosed
EP-2057139-B1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC (US) 2013-09-04 EP disclosed
EP-2057139-B1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC (US) 2013-09-04 EP disclosed
US-8314140-B2 4-hydroxythiobenzamide derivatives of drugs ANTIBE THERAPEUTICS INC. (CA) 2012-11-20 US disclosed
US-8314140-B2 4-hydroxythiobenzamide derivatives of drugs ANTIBE THERAPEUTICS INC. (CA) 2012-11-20 US disclosed
US-8314140-B2 4-hydroxythiobenzamide derivatives of drugs ANTIBE THERAPEUTICS INC. (CA) 2012-11-20 US disclosed
US-20100210607-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC. (CA) 2010-08-19 US disclosed
US-20100210607-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC. (CA) 2010-08-19 US disclosed
US-20090306412-A1 4-HYDROXYTHIOBENZAMIDE DERIVATIVES OF DRUGS ANTIBE THERAPEUTICS INC. (CA) 2009-12-10 US disclosed
EP-2057139-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS Antibe Therapeutics Inc. (US) 2009-05-13 EP disclosed
EP-2041108-A1 4-HYDROXYTHIOBENZAMIDE DERIVATIVES OF DRUGS Antibe Therapeutics Inc. (US) 2009-04-01 EP disclosed
WO-2008009118-A1 4-HYDROXYTHIOBENZAMIDE DERIVATIVES OF DRUGS ANTIBE THERAPEUTICS INC. (CA) 2008-01-24 WO disclosed
WO-2008009118-A1 4-HYDROXYTHIOBENZAMIDE DERIVATIVES OF DRUGS ANTIBE THERAPEUTICS INC. (CA) 2008-01-24 WO disclosed
WO-2008009127-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC. (CA) 2008-01-24 WO disclosed
WO-2008009127-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC. (CA) 2008-01-24 WO disclosed
US-20080004245-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC. (CA) 2008-01-03 US disclosed
US-20080004245-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC. (CA) 2008-01-03 US disclosed
US-20080004245-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC. (CA) 2008-01-03 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 (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-20090306412-A1 4-HYDROXYTHIOBENZAMIDE DERIVATIVES OF DRUGS HRH4, HRH2, HNMT PTGS2 125/4885EPHX1 674/4885PTGS1 115/4885
US-20080004245-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS PTGS1, HPGDS, PTGES PTGS2 4/4885EPHX1 1249/4885PTGS1 1/4885
US-20100210607-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS PTGS1, HPGDS, PTGES PTGS2 4/4885EPHX1 1249/4885PTGS1 1/4885

“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.