SCHEMBL979323

SCHEMBL979323

CC(C)(O)C#Cc1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.42
HAO1 Q9UJM8 1/20 0.41
ASIC3 Q9UHC3 1/20 0.40
MAP3K14 Q99558 2/20 0.40
EGFR P00533 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.37
MAPT P10636 1/20 0.37
PAK4 O96013 3/20 0.35
PAK1 Q13153 1/20 0.35
PKN1 Q16512 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIKFYVE Q9Y2I7 2/20 0.33
TTBK1 Q5TCY1 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
SCHEMBL11443850 0.86 HAO1 (0.46) HAO1ASIC3MAP3K14EGFRMAPT
SCHEMBL15107028 0.85 GRM5 (0.44) GRM5HAO1ALDH1A1MAPK1PTGES2
SCHEMBL11443958 0.83 MAPT (0.43) GRM5MAP3K14ALDH1A1MAPK1MAPT
SCHEMBL11549060 0.82 ASIC3 (0.42) ASIC3MAP3K14ALDH1A1PTGES2MAPT
SCHEMBL2811570 0.79 GRM5 (0.44) GRM5HAO1ASIC3MAP3K14EGFR
SCHEMBL2629434 0.79 GRM5 (0.49) GRM5HAO1ASIC3MAP3K14EGFR
SCHEMBL238140 0.78 GRM5 (0.38) GRM5ALDH1A1MAPK1MAPTMEN1
SCHEMBL11548721 0.78 HAO1 (0.43) HAO1ASIC3ALDH1A1PTGES2MAPT
SCHEMBL24506081 0.78 HAO1 (0.41) HAO1ASIC3MAP3K14EGFRMAPT
SCHEMBL1477501 0.78 KCNH2 (0.50) GRM5HAO1ASIC3MAP3K14EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4223172-A DEHYDROGENATION HALOGENATIVE WITH PALLADIUM-PHOSPHINE COMPLEX CATALYST GULF RESEARCH & DEVELOPMENT COMPANY (US) 1980-09-16 US claimed
WO-2024033280-A1 FUROPYRIDIN AND FUROPYRIMIDIN, INHIBITORS OF PI4K, FOR USE IN THE TREATMENT OF PARASITE INFECTION AND MALARIA MERCK PATENT GMBH (DE) 2024-02-15 WO disclosed
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US disclosed
EP-2217566-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 AstraZeneca AB (SE) 2010-08-18 EP disclosed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-4223172-A DEHYDROGENATION HALOGENATIVE WITH PALLADIUM-PHOSPHINE COMPLEX CATALYST GULF RESEARCH & DEVELOPMENT COMPANY (US) 1980-09-16 US 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-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 PTGER1, CYP3A5, SULT1E1 GRM5 456/4885HAO1 968/4885ASIC3 4324/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 GRM5 1882/4885HAO1 762/4885ASIC3 4386/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 GRM5 1882/4885HAO1 762/4885ASIC3 4386/4885

“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.