Sugi Predict

Sugi Predict / Compounds / SCHEMBL18797233

SCHEMBL18797233

SCHEMBL18797233

CC(C)[Si](OCc1c(Cl)cccc1I)(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.37
▸ NR1H4 Q96RI1 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HPGD P15428 2/20 0.32
▸ ADRA2A P08913 2/20 0.32
▸ ADRA2B P18089 2/20 0.32
▸ ADRA2C P18825 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32

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
SCHEMBL18797209 0.79 F2RL1 (0.34) SMN1; SMN2TAAR1NR1H4LMNAKMT2A
SCHEMBL21027998 0.76 SMN1; SMN2 (0.39) SMN1; SMN2TAAR1KMT2AALDH1A1POLB
SCHEMBL18797392 0.75 CYP2A13 (0.31) SMN1; SMN2NR1H4
SCHEMBL18797270 0.73 KMT2A (0.41) SMN1; SMN2HTTKMT2AALDH1A1POLB
SCHEMBL14370502 0.71 TAAR1 (0.41) SMN1; SMN2TAAR1LMNAHTTKMT2A
SCHEMBL25228007 0.71 ACACB (0.35) SMN1; SMN2ADRA2AADRA2BADRA2CHTT
SCHEMBL31317483 0.71 ACACB (0.35) SMN1; SMN2ADRA2AADRA2BADRA2CHTT
SCHEMBL6822871 0.70 IDO1 (0.32) SMN1; SMN2LMNAHPGDHTTKMT2A
SCHEMBL21768187 0.69 TAAR1 (0.43) SMN1; SMN2TAAR1LMNAADRA2AADRA2B
SCHEMBL30831843 0.69 TAAR1 (0.43) SMN1; SMN2TAAR1LMNAADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368539-B1 SUBSTITUTED INDAZOLE COMPOUNDS AS ROR GAMMA T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-12-02 — — EP disclosed
EP-3368516-B1 SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-07-15 — — EP disclosed
US-10689369-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2020-06-23 — — US disclosed
US-20190276438-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2019-09-12 — — US disclosed
US-10344000-B2 Substituted bicyclic pyrazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2019-07-09 — — US disclosed
US-10287272-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2019-05-14 — — US disclosed
US-20180312489-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-11-01 — — US disclosed
US-20180305320-A1 SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-10-25 — — US disclosed
EP-3368516-A1 SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2018-09-05 — — EP disclosed
EP-3368539-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2018-09-05 — — EP disclosed
WO-2017075182-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2017-05-04 — — WO disclosed
WO-2017075178-A1 SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2017-05-04 — — 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-20190276438-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA SMN1; SMN2 3980/4885TAAR1 2615/4885NR1H4 5/4885
US-20180305320-A1 SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA SMN1; SMN2 4284/4885TAAR1 2035/4885NR1H4 6/4885
US-20180312489-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA SMN1; SMN2 4015/4885TAAR1 2346/4885NR1H4 5/4885
US-10287272-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof RORB, RORC, RORA SMN1; SMN2 3966/4885TAAR1 2526/4885NR1H4 5/4885
US-10689369-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof RORB, RORC, RORA SMN1; SMN2 3980/4885TAAR1 2615/4885NR1H4 5/4885
US-10344000-B2 Substituted bicyclic pyrazole compounds as RORgammaT inhibitors and uses thereof RORB, RORC, RORA SMN1; SMN2 4284/4885TAAR1 2035/4885NR1H4 6/4885

“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.