SCHEMBL30685338

SCHEMBL30685338

COC(=O)[C@@H](C)Oc1cc(Br)cc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.39
PLAU P00749 1/20 0.39
ALDH1A1 P00352 6/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ALDH2 P05091 1/20 0.36
GAA P10253 3/20 0.36
TSHR P16473 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 4/20 0.35
HSD17B10 Q99714 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
LMNA P02545 4/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL22281011 1.00 F9 (0.39) F9PLAUALDH1A1L3MBTL1ALDH2
SCHEMBL22264899 0.84 KMT2A (0.42) ALDH1A1L3MBTL1GAATSHRSMN1; SMN2
SCHEMBL22264897 0.84 KMT2A (0.42) ALDH1A1L3MBTL1GAATSHRSMN1; SMN2
SCHEMBL28463373 0.83 MAPT (0.38) F9PLAUALDH1A1L3MBTL1ALDH2
SCHEMBL28457435 0.83 MAPT (0.38) F9PLAUALDH1A1L3MBTL1ALDH2
SCHEMBL28457438 0.83 MAPT (0.38) F9PLAUALDH1A1L3MBTL1ALDH2
SCHEMBL29091950 0.82 ALDH1A1 (0.42) F9PLAUALDH1A1L3MBTL1ALDH2
SCHEMBL27235800 0.82 ALDH1A1 (0.42) F9PLAUALDH1A1L3MBTL1ALDH2
SCHEMBL29530222 0.82 ALDH1A1 (0.42) F9PLAUALDH1A1L3MBTL1ALDH2
SCHEMBL21167054 0.77 LMNA (0.35) ALDH1A1SMN1; SMN2MAPTHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3914256-B1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES INC (US) 2024-05-29 EP disclosed
US-11773101-B2 GPR35 modulators PROMETHEUS BIOSCIENCES, INC. (US) 2023-10-03 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 (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-11773101-B2 GPR35 modulators GPR35, GPR55, GPR65 F9 4883/4885PLAU 3416/4885ALDH1A1 2704/4885

“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.