SCHEMBL10248574

SCHEMBL10248574

CC(C)(C)C(=O)Nc1ccc(F)c(F)c1C(=O)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.44
ABCB1 P08183 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
LMNA P02545 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL10252235 0.85 L3MBTL1 (0.42) TSHRRAB9AGAAL3MBTL1MAPT
SCHEMBL2469788 0.79 ABCC9 (0.45) RAB9AGAAL3MBTL1ALDH1A1MAPT
SCHEMBL344824 0.77 CCR9 (0.60) TSHRSMN1; SMN2NPC1RAB9AGAA
SCHEMBL343825 0.76 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1
SCHEMBL10248576 0.75 SMN1; SMN2 (0.44) TSHRSMN1; SMN2NPC1RAB9AGAA
SCHEMBL343795 0.73 F7 (0.49) GAACYP1A2L3MBTL1ALDH1A1HDAC3
SCHEMBL3408423 0.71 CYP1A2 (0.49) TSHRSMN1; SMN2NPC1RAB9AGAA
SCHEMBL30937653 0.68 L3MBTL1 (0.44) RAB9AGAACYP1A2CYP2C9L3MBTL1
SCHEMBL391683 0.68 RAB9A (0.78) TSHRSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL1643182 0.68 KDM4C (0.56) TSHRSMN1; SMN2NPC1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 US disclosed
US-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 US disclosed
US-20130267492-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2013-10-10 US disclosed
US-20130267492-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2013-10-10 US disclosed
US-20120014997-A1 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-01-19 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 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 (4 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-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 TSHR 1005/4885SMN1; SMN2 1116/4885NPC1 1062/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 TSHR 1005/4885SMN1; SMN2 1116/4885NPC1 1062/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 TSHR 1005/4885SMN1; SMN2 1116/4885NPC1 1062/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 TSHR 1005/4885SMN1; SMN2 1116/4885NPC1 1062/4885

“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.