SCHEMBL18554457

SCHEMBL18554457

Cc1c(Br)c(C(N)=O)nn1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 3/20 0.41
APAF1 O14727 1/20 0.40
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.36
IKBKB O14920 1/20 0.34
MAP3K14 Q99558 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PKM P14618 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
KAT2B Q92831 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
SCHEMBL24093954 0.79 MAPT (0.34) GAAALDH1A1LMNAAPAF1MAPT
SCHEMBL11635641 0.79 ALDH1A1 (0.56) GAAALDH1A1LMNAAPAF1MAPT
SCHEMBL3585241 0.79 ALDH1A1 (0.67) GAAALDH1A1LMNAAPAF1HTT
Ethane SCHEMBL11828584 0.77 ALDH1A1 (0.65) GAAALDH1A1LMNAAPAF1HTT
SCHEMBL27269496 0.73 RAB9A (0.48) GAAALDH1A1LMNAMAPTPOLB
SCHEMBL2876040 0.72 MAPT (0.61) GAAALDH1A1LMNAAPAF1MAPT
SCHEMBL2760504 0.71 MAPT (0.60) ALDH1A1LMNAMAPTPOLBHTT
SCHEMBL13836859 0.70 CFD (0.50) GAAALDH1A1LMNAKDM4EADORA3
SCHEMBL13837295 0.69 CFD (0.50) GAAALDH1A1LMNAKDM4EADORA3
SCHEMBL13807625 0.69 ALDH1A1 (0.45) GAAALDH1A1LMNAAPAF1MAPT

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
EP-3340982-B1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2021-12-15 EP disclosed
EP-3340982-B1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2021-12-15 EP disclosed
US-10807952-B2 Compounds for treatment of immune inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-10-20 US disclosed
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-19 US disclosed
EP-3340982-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS Achillion Pharmaceuticals, Inc. (US) 2018-07-04 EP disclosed
WO-2017035408-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 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-10807952-B2 Compounds for treatment of immune inflammatory disorders CFD, TFPI, CFH GAA 3447/4885ALDH1A1 3253/4885LMNA 2537/4885
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS CFD, TFPI, CFH GAA 3447/4885ALDH1A1 3253/4885LMNA 2537/4885

“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.