Sugi Predict

Sugi Predict / Compounds / SCHEMBL18955463

SCHEMBL18955463

SCHEMBL18955463

Cc1cccc(F)c1N(C(=O)C(N)=O)c1c(C)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.40
▸ HSD17B2 P37059 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ MAPK14 Q16539 6/20 0.39
▸ STS P08842 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ PRKD3 O94806 2/20 0.34
▸ PRKD2 Q9BZL6 2/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ MAPK9 P45984 1/20 0.33
▸ MAPKAPK2 P49137 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
SCHEMBL6624347 0.87 SLC9A1 (0.38) ESR1ESR2POLB
SCHEMBL5396721 0.72 SIGMAR1 (0.42) HSD17B1HSD17B2POLB
SCHEMBL30327602 0.71 CES2 (0.45) ACHECES2CES1HDAC4TDP1
SCHEMBL11663627 0.70 HSD17B1 (0.43) HSD17B1HSD17B2ACHEMAPK14STS
SCHEMBL10615577 0.70 HSD17B1 (0.38) HSD17B1HSD17B2ACHEMAPK14STS
SCHEMBL18509313 0.70 ACHE (0.50) HSD17B1HSD17B2ACHESTSPOLB
SCHEMBL4914457 0.69 CES2 (0.52) ACHECES2CES1HDAC4TDP1
SCHEMBL20355443 0.69 CES2 (0.42) MAPK14ESR1ESR2CES2CES1
SCHEMBL29475746 0.69 CES2 (0.42) MAPK14CES2CES1TDP1PRKD3
SCHEMBL7414673 0.69 HSD17B1 (0.39) HSD17B1HSD17B2ACHESTSCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368001-B Olefin metathesis catalysts 优美科股份公司及两合公司 2021-07-23 — — CN disclosed
US-20210053043-A1 OLEFIN METATHESIS CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY 2021-02-25 — — US disclosed
US-10857530-B2 Olefin metathesis catalysts UMICORE AG & CO. KG (DE) 2020-12-08 — — US disclosed
US-20180361371-A1 OLEFIN METATHESIS CATALYSTS UMICORE AG & CO KG (DE) 2018-12-20 — — US disclosed
EP-3386936-A1 OLEFIN METATHESIS CATALYSTS Umicore AG & Co. KG (DE) 2018-10-17 — — EP disclosed
WO-2017100585-A1 OLEFIN METATHESIS CATALYSTS MATERIA, INC. (US) 2017-06-15 — — 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 (3 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-10857530-B2 Olefin metathesis catalysts ZDHHC7, ZDHHC2, OSBP HSD17B1 958/4885HSD17B2 975/4885ACHE 1252/4885
US-20210053043-A1 OLEFIN METATHESIS CATALYSTS ZDHHC7, ZDHHC2, OSBP HSD17B1 958/4885HSD17B2 975/4885ACHE 1252/4885
US-20180361371-A1 OLEFIN METATHESIS CATALYSTS ZDHHC7, ZDHHC2, OSBP HSD17B1 958/4885HSD17B2 975/4885ACHE 1252/4885

“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.