SCHEMBL1139376

SCHEMBL1139376

O=C(Nc1ccc(Cl)cc1O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.51
PDK2 Q15119 3/20 0.51
PDK3 Q15120 3/20 0.51
PDK4 Q16654 3/20 0.51
CXCR2 P25025 1/20 0.51
TMPRSS4 Q9NRS4 5/20 0.46
P2RX1 P51575 3/20 0.46
P2RX4 Q99571 3/20 0.46
P2RX7 Q99572 3/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CHRNA7 P36544 1/20 0.43
F12 P00748 1/20 0.43
KMT2A Q03164 2/20 0.43
ERBB2 P04626 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43

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
SCHEMBL1138827 0.86 KCNMA1 (0.58) PDK1PDK2PDK3PDK4CHRNA7
SCHEMBL28091743 0.84 PDK1 (0.69) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL15072457 0.83 KMT2A (0.58) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL3294939 0.82 PDK1 (0.49) PDK1PDK2PDK3PDK4P2RX1
SCHEMBL17027107 0.81 CXCR2 (0.54) PDK1PDK2PDK3PDK4CXCR2
SCHEMBL1197587 0.81 PDK1 (0.50) PDK1PDK2PDK3PDK4TMPRSS4
SCHEMBL1500946 0.81 PDK1 (0.50) PDK1PDK2PDK3PDK4CXCR2
SCHEMBL16983107 0.81 MAPK1 (0.55) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL16198286 0.80 KDM4E (0.64) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL3850312 0.79 CA1 (0.42) PDK1PDK2PDK3PDK4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0947500-B1 SULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2011-02-23 EP disclosed
US-6790866-B2 SUCH AS 4-(2-PHENYLSULFONYLAMINO-5-CHLOROBENZOYLAMINO)BENZOIC ACID FOR USE AS PROSTAGLANDIN E2 ANTAGONIST OR AGONIST; FOR INHIBITION OF UTERINE CONTRACTION, ANALGESICS, ANTIDIARRHEALS, SLEEP INDUCERS, AND/OR FOR INCREASE OF VESICAL CAPACITY ONO PHARMACEUTICAL CO., LTD. (JP) 2004-09-14 US disclosed
US-20030060460-A1 Such as 4-(2-phenylsulfonylamino-5-chlorobenzoylamino)benzoic acid for use as prostaglandin E2 antagonist or agonist; for inhibition of uterine contraction, analgesics, antidiarrheals, sleep inducers, and/or for increase of vesical capacity OHUCHIDA SHUICHI (JP) 2003-03-27 US disclosed
US-6448290-B1 PROSTAGLANDIN E2 ANTAGONIST OR AGONIST; INHIBITION OF UTERINE CONTRACTION, ANALGESICS, ANTIDIARRHEALS, SLEEP INDUCERS, INCREASING VESICAL CAPACITY, CATHARTIC, SUPPRESSION OF GASTRIC ACID SECRETION, ANTIHYPERTENSIVE, DIURETIC AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 2002-09-10 US disclosed
EP-0947500-A1 SULFONAMIDE AND CARBOXAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP 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 (1 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-20030060460-A1 Such as 4-(2-phenylsulfonylamino-5-chlorobenzoylamino)benzoic acid for use as prostaglandin E2 antagonist or agonist; for inhibition of uterine contraction, analgesics, antidiarrheals, sleep inducers, and/or for increase of vesical capacity CNR1, HCAR1, HCAR2 PDK1 4681/4885PDK2 3851/4885PDK3 4379/4885

“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.