SCHEMBL3331992

SCHEMBL3331992

CCS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.45
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
BRD4 O60885 4/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
DDR1 Q08345 3/20 0.39
HTR6 P50406 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CCR2 P41597 2/20 0.38
CNR2 P34972 1/20 0.38
PTGS2 P35354 1/20 0.38
MCL1 Q07820 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
SCHEMBL776801 0.80 AKR1B1 (0.44) AKR1B1ALDH1A1BRD4PSEN1PSEN2
SCHEMBL13911296 0.80 DDR1 (0.48) AKR1B1PSEN1PSEN2APH1BNCSTN
SCHEMBL644001 0.80 CCR2 (0.50) AKR1B1BRD4CCR2CNR2PTGS2
SCHEMBL14837433 0.78 TSHR (0.54) ALDH1A1PKMBRD4TSHRMAPK1
SCHEMBL68990 0.78 TRPV4 (0.58) AKR1B1BRD4PSEN1PSEN2APH1B
SCHEMBL27619523 0.78 AKR1B1 (0.49) AKR1B1BRD4PSEN1PSEN2APH1B
SCHEMBL29651884 0.78 TRPV4 (0.58) AKR1B1BRD4PSEN1PSEN2APH1B
SCHEMBL9740477 0.78 AKR1B1 (0.40) AKR1B1ALDH1A1PKMPSEN1PSEN2
SCHEMBL16770737 0.77 DDR1 (0.50) ALDH1A1TSHRKMT2ADDR1CCR2
SCHEMBL2050647 0.76 AKR1B1 (0.47) AKR1B1ALDH1A1PKMBRD4KMT2A

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-102557971-B Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB 2015-06-17 CN disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 EP disclosed
US-20100137300-A1 Indolizine Acetic Acid Derivatives as CRTH2 Antagonists ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-06-03 US disclosed
CN-101678009-A Indolizine acetic acid derivatives as CRTH2 antagonists ARGENTA DISCOVERY LTD 2010-03-24 CN disclosed
EP-2136804-A1 INDOLIZINE ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Argenta Oral Therapeutics Limited (GB) 2009-12-30 EP disclosed
WO-2008113965-A1 INDOLIZINE ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2008-09-25 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-20100137300-A1 Indolizine Acetic Acid Derivatives as CRTH2 Antagonists HRH1, HRH4, HRH2 AKR1B1 1372/4885ALDH1A1 744/4885PKM 3209/4885

“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.