SCHEMBL3017219

SCHEMBL3017219

O=S(=O)(O)Oc1nc(-c2ccccc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
ATP4A P20648 1/20 0.46
ATP4B P51164 1/20 0.46
PHGDH O43175 2/20 0.45
KMT2A Q03164 6/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 5/20 0.45
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 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
SCHEMBL28702412 0.81 MEN1 (0.49) ALDH1A1ATP4AATP4BKMT2AMAPT
SCHEMBL11781024 0.74 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6017146 0.74 ALDH1A1 (0.55) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL9830681 0.72 ALDH1A1 (0.49) ALDH1A1ATP4AATP4BKMT2AMAPT
SCHEMBL15646308 0.70 ALDH1A1 (0.50) ALDH1A1ATP4AATP4BKMT2AMAPT
SCHEMBL27712566 0.70 MAPT (0.58) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL11705681 0.68 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL7056572 0.68 ALDH1A1 (0.52) ALDH1A1PHGDHKMT2AMAPTMEN1
SCHEMBL9093997 0.68 ALDH1A1 (0.56) ALDH1A1ATP4AATP4BKMT2AMAPT
SCHEMBL3026770 0.68 SLC22A6 (0.41) ALDH1A1PHGDHKMT2AMEN1KDM4E

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
US-9316633-B2 Methods for identifying inhibitors of solute transporters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-19 US disclosed
US-8394788-B2 Phenylsulfoxyoxazole compound inhibitors of urea transporters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-12 US disclosed
US-8394788-B2 Phenylsulfoxyoxazole compound inhibitors of urea transporters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-12 US disclosed
US-20100305105-A1 PHENYLSULFOXYOXAZOLE COMPOUND INHIBITORS OF UREA TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-02 US disclosed
US-20100305105-A1 PHENYLSULFOXYOXAZOLE COMPOUND INHIBITORS OF UREA TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-02 US disclosed
US-20100190796-A1 METHODS FOR IDENTIFYING INHIBITORS OF SOLUTE TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-29 US disclosed
WO-2008061248-A3 PHENYLSULFOXYOXAZOLE COMPOUND INHIBITORS OF UREA TRANSPORTERS VERKMAN ALAN S (US) 2008-07-17 WO disclosed
WO-2008067196-A2 METHODS FOR IDENTIFYING INHIBITORS OF SOLUTE TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-06-05 WO disclosed
WO-2008061248-A2 PHENYLSULFOXYOXAZOLE COMPOUND INHIBITORS OF UREA TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-05-22 WO disclosed
WO-2008061248-A2 PHENYLSULFOXYOXAZOLE COMPOUND INHIBITORS OF UREA TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-05-22 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 (2 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-20100190796-A1 METHODS FOR IDENTIFYING INHIBITORS OF SOLUTE TRANSPORTERS SLC2A1, SLC2A3, SLC2A8 ALDH1A1 3404/4885ATP4A 218/4885ATP4B 276/4885
US-20100305105-A1 PHENYLSULFOXYOXAZOLE COMPOUND INHIBITORS OF UREA TRANSPORTERS SLC14A1, SLCO4C1, SLCO2B1 ALDH1A1 2350/4885ATP4A 230/4885ATP4B 349/4885

“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.