SCHEMBL18375352

SCHEMBL18375352

CC(C)c1cccc(C(N)=O)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
LMNA P02545 2/20 0.42
FAAH O00519 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GABRB1 P18505 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL27731032 0.85 KEAP1 (0.49) NOTUMIRAK4HPGDTSHRGABRA1
SCHEMBL6376766 0.84 PTGS2 (0.42) IRAK4HPGDTSHRPTGS1CES2
SCHEMBL18252849 0.83 NOTUM (0.56) NOTUMHPGDTSHRGABRA1GABRG2
SCHEMBL13699876 0.83 NOTUM (0.46) NOTUMHPGDTSHRGABRA1GABRG2
SCHEMBL31632660 0.82 IRAK4 (0.55) IRAK4HPGDTSHRGABRA1GABRG2
SCHEMBL105262 0.82 IRAK4 (0.55) IRAK4HPGDTSHRGABRA1GABRG2
SCHEMBL22089723 0.82 IRAK4 (0.38) IRAK4HPGDTSHRCES2CES1
Hydrochloric Acid SCHEMBL28294057 0.80 IRAK4 (0.53) IRAK4HPGDTSHRGABRA1GABRG2
Hydrochloric Acid SCHEMBL7849679 0.80 IRAK4 (0.53) IRAK4HPGDTSHRGABRA1GABRG2
SCHEMBL28770413 0.80 KEAP1 (0.42) IRAK4HPGDTSHRGABRA1GABRG2

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
EP-3752498-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2023-06-28 EP disclosed
WO-2021076448-A1 SOMATOSTATIN MODULATORS FOR TREATING PITUITARY ADENOMAS Crinetics Pharmaceuticals, Inc. (US) 2021-04-22 WO disclosed
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-11 US disclosed
EP-3319955-B1 6-AMINO-QUINOLINE-3-CARBONITRILS AS COT MODULATORS GILEAD SCIENCES INC (US) 2020-11-25 EP disclosed
WO-2019157458-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2019-08-15 WO disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
CN-104003939-B Diaryl substitution thiohydantoin class compound and preparation method and application 山东大学 2017-07-07 CN disclosed
WO-2017007694-A1 6-AMINO-QUINOLINE-3-CARBONITRILS AS COT MODULATORS GILEAD SCIENCES, INC. (US) 2017-01-12 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-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 NOTUM 1877/4885IRAK4 1457/4885HPGD 1603/4885
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 NOTUM 4089/4885IRAK4 3128/4885HPGD 1517/4885

“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.