SCHEMBL20471985

SCHEMBL20471985

C=CCOc1ccc(F)cc1C(=O)Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
GAA P10253 2/20 0.55
LIG1 P18858 1/20 0.49
HTR2C P28335 6/20 0.47
HTR2A P28223 5/20 0.47
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 2/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR2B P41595 2/20 0.38
FLT3 P36888 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38

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
SCHEMBL20471842 0.88 TSHR (0.48) TSHRGAALIG1HTR2CHTR2A
SCHEMBL20471955 0.86 TSHR (0.68) TSHRGAALIG1HTR2CHTR2A
SCHEMBL6689695 0.84 CYP3A4 (0.53) TSHRGAALIG1HTR2CHTR2A
SCHEMBL11368844 0.83 GAA (0.78) TSHRGAALIG1HTR2CKDM4E
SCHEMBL20471970 0.82 LIG1 (0.50) TSHRGAALIG1HTR2CHTR2A
SCHEMBL12804417 0.82 TSHR (0.49) TSHRGAALIG1HTR2CHTR2A
SCHEMBL8164464 0.82 GAA (0.53) TSHRGAALIG1HTR2CHTR2A
SCHEMBL15922286 0.82 GAA (0.55) TSHRGAALIG1HTR2CHTR2A
SCHEMBL20471940 0.82 GAA (0.58) TSHRGAALIG1MAPTKDM4E
SCHEMBL1428 0.81 LIG1 (0.67) TSHRGAALIG1HTR2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3580224-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2022-07-13 EP disclosed
EP-3580224-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2022-07-13 EP disclosed
US-11168095-B2 ASK1 inhibiting agents BIOGEN MA INC. (US) 2021-11-09 US disclosed
US-11168095-B2 ASK1 inhibiting agents BIOGEN MA INC. (US) 2021-11-09 US disclosed
WO-2018148204-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2018-08-16 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-11168095-B2 ASK1 inhibiting agents MAP3K1, MAP3K10, MAP3K20 TSHR 3906/4885GAA 2855/4885LIG1 763/4885

“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.