SCHEMBL4741874

SCHEMBL4741874

Nc1ccc(O)c(C(=O)Nc2cccc(Cl)c2)c1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 11/20 0.78
P2RX4 Q99571 3/20 0.78
P2RX7 Q99572 3/20 0.78
FADS1 O60427 5/20 0.69
TMPRSS4 Q9NRS4 4/20 0.62
SLC2A1 P11166 1/20 0.59
HSPD1 P10809 1/20 0.54
HSPE1 P61604 1/20 0.54
KCNMA1 Q12791 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL13812565 0.89 P2RX1 (0.78) P2RX1P2RX4P2RX7FADS1TMPRSS4
SCHEMBL11932152 0.88 P2RX1 (1.00) P2RX1P2RX4P2RX7FADS1TMPRSS4
SCHEMBL17774897 0.88 ALDH1A1 (0.61) P2RX1P2RX4P2RX7FADS1TMPRSS4
SCHEMBL3441247 0.87 FADS1 (0.65) P2RX1P2RX4P2RX7FADS1HSPD1
SCHEMBL17774843 0.87 P2RX1 (0.74) P2RX1P2RX4P2RX7FADS1TMPRSS4
SCHEMBL17774894 0.84 P2RX1 (0.77) P2RX1P2RX4P2RX7TMPRSS4KCNMA1
SCHEMBL17774886 0.83 TMPRSS4 (0.67) P2RX1P2RX4P2RX7FADS1TMPRSS4
SCHEMBL330366 0.83 P2RX1 (0.78) P2RX1P2RX4P2RX7FADS1TMPRSS4
SCHEMBL17774883 0.83 MEN1 (0.57) P2RX1P2RX4P2RX7FADS1TMPRSS4
SCHEMBL5631068 0.82 P2RX1 (0.77) P2RX1P2RX4P2RX7FADS1TMPRSS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
US-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 US disclosed
US-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 US disclosed
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders LEXICON PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer LEXICON PHARMACEUTICALS, INC. 2008-08-14 US disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 P2RX1 57/4885P2RX4 51/4885P2RX7 35/4885
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR P2RX1 4730/4885P2RX4 4752/4885P2RX7 4482/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG P2RX1 1674/4885P2RX4 1451/4885P2RX7 1555/4885

“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.