Sugi Predict

Sugi Predict / Compounds / SCHEMBL12469442

SCHEMBL12469442

SCHEMBL12469442

C#C[C@@H](O)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ TDO2 P48775 2/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ LMNA P02545 4/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ ALPG P10696 2/20 0.37

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
SCHEMBL132554 1.00 AOC3 (0.38) AOC3IDO1TDO2ESR1ESR2
SCHEMBL7206636 0.94 BCL2L1 (0.42) AOC3IDO1TDO2ESR1ESR2
SCHEMBL11491256 0.88 SCN9A (0.38) IDO1TDO2LMNAALDH1A1ALOX5
SCHEMBL29184903 0.87 ESR1 (0.46) ESR1ESR2TSHR
SCHEMBL11485734 0.78 CYP2C19 (0.41) LMNASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL6962580 0.78 ESR1 (0.62) ESR1ESR2LMNASMN1; SMN2ALDH1A1
SCHEMBL199580 0.76 TSHR (0.60) AOC3IDO1TDO2ESR1ESR2
SCHEMBL6908022 0.76 TSHR (0.60) AOC3IDO1TDO2ESR1ESR2
SCHEMBL10953516 0.76 HDAC3 (0.42) AOC3IDO1TDO2HDAC3HDAC4
SCHEMBL7199129 0.76 CHRNA7 (0.39) ESR1ESR2LMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927559-B2 Quinazolinone-type compounds as CRTH2 antagonists MERCK SHARP & DOHME CORP. (US) 2015-01-06 — — US disclosed
US-8927559-B2 Quinazolinone-type compounds as CRTH2 antagonists MERCK SHARP & DOHME CORP. (US) 2015-01-06 — — US disclosed
US-8927559-B2 Quinazolinone-type compounds as CRTH2 antagonists MERCK SHARP & DOHME CORP. (US) 2015-01-06 — — US disclosed
EP-2627178-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-08-21 — — EP disclosed
US-20130210805-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME LLC 2013-08-15 — — US disclosed
US-20130210805-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME LLC 2013-08-15 — — US disclosed
US-20130210805-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME LLC 2013-08-15 — — US disclosed
WO-2012051036-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-04-19 — — 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-20130210805-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, NR3C2, HRH1 AOC3 3515/4885IDO1 4080/4885TDO2 3029/4885

“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.