SCHEMBL17307162

SCHEMBL17307162

Cc1cccc(C(C)(C)C)c1CO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.55
GABRB2 P47870 1/20 0.55
CA2 P00918 1/20 0.46
ALDH1A1 P00352 7/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
NLRP3 Q96P20 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
ATM Q13315 2/20 0.37
TRPA1 O75762 1/20 0.37
POLB P06746 1/20 0.35
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SCN2A Q99250 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 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
SCHEMBL105826 0.87 CA2 (0.54) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL3916579 0.83 GABRA1 (0.50) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL14236812 0.83 GABRA1 (0.54) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL30723720 0.82 RORC (0.40) GABRA1GABRB2ALDH1A1TDP1GABRG2
SCHEMBL10348717 0.80 CA2 (0.43) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL357603 0.79 GABRA1 (0.48) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL26651800 0.79 GABRA1 (0.50) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL10715140 0.79 ALDH1A1 (0.56) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL24012441 0.78 CA2 (0.45) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL10348719 0.78 CA2 (0.45) GABRA1GABRB2CA2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365557-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS 1ST Biotherapeutics, Inc. (KR) 2023-11-16 US disclosed
US-20230365557-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS 1ST Biotherapeutics, Inc. (KR) 2023-11-16 US disclosed
US-11802126-B2 Imidazopyridinyl compounds and use thereof for treatment of neurodegenerative disorders 1ST Biotherapeutics, Inc. (KR) 2023-10-31 US disclosed
US-20200270246-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS 1ST Biotherapeutics, Inc. 2020-08-27 US disclosed
US-20170015631-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2017-01-19 US disclosed
US-9394257-B2 PKM2 modulators and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
US-20150344436-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2015-12-03 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 (5 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-20230365557-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, SNCA, HTT GABRA1 395/4885GABRB2 355/4885CA2 2482/4885
US-11802126-B2 Imidazopyridinyl compounds and use thereof for treatment of neurodegenerative disorders SMN1; SMN2, SNCA, HTT GABRA1 395/4885GABRB2 355/4885CA2 2482/4885
US-20200270246-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, SNCA, HTT GABRA1 395/4885GABRB2 355/4885CA2 2482/4885
US-20170015631-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM GABRA1 2373/4885GABRB2 2081/4885CA2 2766/4885
US-20150344436-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM GABRA1 2373/4885GABRB2 2081/4885CA2 2766/4885

“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.