SCHEMBL5452029

SCHEMBL5452029

Cc1ccc(S(=O)(=O)OCC2CCN(C(=O)OCc3ccccc3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.53
MMP1 P03956 2/20 0.51
MMP3 P08254 2/20 0.51
MMP7 P09237 2/20 0.51
MMP9 P14780 2/20 0.51
MMP13 P45452 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MMP2 P08253 1/20 0.49
MMP8 P22894 1/20 0.49
CYP2C19 P33261 1/20 0.48
F13A1 P00488 4/20 0.47
TGM2 P21980 4/20 0.47
TGM1 P22735 4/20 0.47
HTT P42858 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL7350346 0.94 BCL9 (0.48) GRIN2BMMP1MMP3MMP7MMP9
SCHEMBL4828216 0.94 GRIN2B (0.61) GRIN2BMMP1MMP3MMP7MMP9
SCHEMBL31488027 0.91 LMNA (0.48) GRIN2BMMP1MMP3MMP7MMP9
SCHEMBL19475555 0.90 GRIN2B (0.57) GRIN2BMMP1MMP3MMP7MMP9
SCHEMBL17063265 0.90 GRIN2B (0.57) GRIN2BMMP1MMP3MMP7MMP9
SCHEMBL29927194 0.88 GRIN2B (0.55) GRIN2BMMP1MMP3MMP7MMP9
SCHEMBL5357194 0.88 SMN1; SMN2 (0.48) GRIN2BMMP1MMP3MMP7MMP9
SCHEMBL14438448 0.88 SMN1; SMN2 (0.48) GRIN2BMMP1MMP3MMP7MMP9
SCHEMBL844498 0.88 SMN1; SMN2 (0.48) GRIN2BMMP1MMP3MMP7MMP9
SCHEMBL844497 0.88 SMN1; SMN2 (0.48) GRIN2BMMP1MMP3MMP7MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884847-B2 Indazole retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2018-02-06 US disclosed
WO-2017184549-A1 PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2017-10-26 WO disclosed
WO-2017184549-A1 PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2017-10-26 WO disclosed
US-20170298060-A1 PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2017-10-19 US disclosed
US-20170298060-A1 PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2017-10-19 US disclosed
US-20170217956-A1 AZAINDOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2017-08-03 US disclosed
US-20170217956-A1 AZAINDOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2017-08-03 US disclosed
US-9701663-B2 Sulfonamide retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2017-07-11 US disclosed
US-20170158669-A1 INDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2017-06-08 US disclosed
US-20170158669-A1 INDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2017-06-08 US disclosed
US-20160024057-A1 INDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 US disclosed
US-20160024057-A1 INDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 US disclosed
WO-2016014916-A1 AZAINDOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 WO disclosed
WO-2016014910-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 WO disclosed
WO-2015138276-A2 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2015-09-17 WO disclosed
US-20150252022-A1 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2015-09-10 US disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 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 (6 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-20170298060-A1 PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARB, RARA, RARG GRIN2B 703/4885MMP1 4816/4885MMP3 4711/4885
US-20070191333-A1 Antibacterial agents MRPL21, RPN2, FBL GRIN2B 4044/4885MMP1 1437/4885MMP3 1740/4885
US-20170158669-A1 INDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RXRA, RXRB, RARB GRIN2B 1406/4885MMP1 4456/4885MMP3 4559/4885
US-20170217956-A1 AZAINDOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARA, RARB, RARG GRIN2B 654/4885MMP1 4577/4885MMP3 4607/4885
US-20160024057-A1 INDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RXRA, RXRB, RARB GRIN2B 1406/4885MMP1 4456/4885MMP3 4559/4885
US-20150252022-A1 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARA, RARB, RARG GRIN2B 1184/4885MMP1 4820/4885MMP3 4714/4885

“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.