SCHEMBL15567907

SCHEMBL15567907

CS(=O)(=O)OCc1c(Cl)cccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
DDR1 Q08345 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
AR P10275 1/20 0.36
C5AR1 P21730 1/20 0.35
RECQL P46063 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
RORC P51449 5/20 0.34
P2RX7 Q99572 1/20 0.34
GNRHR P30968 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL31373399 0.84 RECQL (0.42) LMNARECQLKMT2A
SCHEMBL15569137 0.81 ALDH1A1 (0.43) CYP2C9CYP2C19RECQLRORCKMT2A
SCHEMBL12016022 0.79 P2RX7 (0.38) L3MBTL1CYP1A2CYP2C9CYP2C19AR
SCHEMBL19055358 0.76 KDM4E (0.43) L3MBTL1CYP1A2CYP2C9CYP2C19AR
SCHEMBL16822070 0.76 P2RX7 (0.34) NPSR1CYP2C9CYP2C19ARP2RX7
SCHEMBL21466555 0.75 PIEZO1 (0.36) NPSR1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL18371912 0.75 P2RX7 (0.41) L3MBTL1CYP1A2CYP2C9CYP2C19AR
SCHEMBL271277 0.74 RORC (0.39) L3MBTL1C5AR1SLC22A12RORCKMT2A
SCHEMBL2911236 0.74 RORC (0.42) L3MBTL1SLC22A12RORCKMT2A
SCHEMBL4679010 0.74 IDO1 (0.56) NPSR1CYP2C9CYP2C19ARRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2884977-B1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2017-10-11 EP disclosed
EP-2884977-B1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2017-10-11 EP disclosed
US-9556168-B2 N-alkylated indole and indazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-01-31 US disclosed
US-9556168-B2 N-alkylated indole and indazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-01-31 US disclosed
US-9556168-B2 N-alkylated indole and indazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-01-31 US disclosed
US-20150210687-A1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-07-30 US disclosed
US-20150210687-A1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-07-30 US disclosed
US-20150210687-A1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-07-30 US disclosed
EP-2884977-A2 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2015-06-24 EP disclosed
WO-2014026329-A1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
WO-2014028591-A2 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 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 (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-20150210687-A1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA LMNA 4258/4885DDR1 4340/4885NPSR1 333/4885

“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.