Sugi Predict

Sugi Predict / Compounds / SCHEMBL15568853

SCHEMBL15568853

SCHEMBL15568853

Fc1cccc2c1c(I)nn2C1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.39
▸ CYP4A11 Q02928 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 1/20 0.34
▸ ESR1 P03372 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RET P07949 1/20 0.33
▸ ATR Q13535 3/20 0.33
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ MAP3K5 Q99683 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SSTR4 P31391 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ DGAT2 Q96PD7 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ RIPK1 Q13546 1/20 0.30

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
SCHEMBL31484933 1.00 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1HPGDESR1
SCHEMBL19204904 0.85 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1ESR1LMNA
SCHEMBL31190729 0.85 CYP4F2 (0.37) CYP4F2CYP4A11ALDH1A1LMNARET
SCHEMBL31190796 0.85 P2RX7 (0.38) CYP4F2CYP4A11ALDH1A1HPGDESR1
SCHEMBL31190681 0.84 CYP4F2 (0.35) CYP4F2CYP4A11HPGDRETRXRA
SCHEMBL31361807 0.83 ATR (0.36) CYP4F2CYP4A11RETATRMAP3K5
SCHEMBL14723265 0.82 RET (0.36) CYP4F2CYP4A11ALDH1A1LMNARET
SCHEMBL30540754 0.81 EGFR (0.37) CYP4F2CYP4A11RETATR
SCHEMBL31190591 0.81 CYP4F2 (0.35) CYP4F2CYP4A11RETATRRXRA
SCHEMBL20765166 0.80 CYP4F2 (0.35) CYP4F2CYP4A11ALDH1A1LMNARET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2920149-B1 3-AMINOCYCLOALKYL COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-03-20 — — EP disclosed
EP-2920149-B1 3-AMINOCYCLOALKYL COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-03-20 — — 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
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-9663522-B2 3-aminocycloalkyl compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-05-30 — — US disclosed
US-9663522-B2 3-aminocycloalkyl compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-05-30 — — US disclosed
US-9663522-B2 3-aminocycloalkyl compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-05-30 — — 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-9556168-B2 N-alkylated indole and indazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-01-31 — — US disclosed
EP-2920149-A2 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2015-09-23 — — EP disclosed
US-20150218169-A1 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-08-06 — — US disclosed
US-20150218169-A1 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-08-06 — — US disclosed
US-20150218169-A1 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-08-06 — — 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-2014028591-A2 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 — — WO disclosed
WO-2014028600-A2 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 — — WO disclosed
WO-2014028600-A2 3-AMINOCYCLOALKYL 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 (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-20150210687-A1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA CYP4F2 483/4885CYP4A11 76/4885ALDH1A1 524/4885
US-20150218169-A1 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA CYP4F2 151/4885CYP4A11 41/4885ALDH1A1 487/4885

“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.