SCHEMBL22752210

SCHEMBL22752210

COC(=O)c1cccc([C@H]2C[C@@H]2C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 2/20 0.52
▸ MGAT2 Q10469 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ RAB9A P51151 1/20 0.47
▸ FFAR1 O14842 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.45
▸ SLC9A1 P19634 1/20 0.45
▸ KDM1A O60341 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ITGB3 P05106 1/20 0.44
▸ ITGB1 P05556 1/20 0.44
▸ ITGAV P06756 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ ITGB5 P18084 1/20 0.44

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
SCHEMBL24890703 1.00 DGAT2 (0.52) DGAT2MGAT2ALDH1A1HPGDTSHR
SCHEMBL21501044 1.00 DGAT2 (0.52) DGAT2MGAT2ALDH1A1HPGDTSHR
SCHEMBL21501062 1.00 DGAT2 (0.52) DGAT2MGAT2ALDH1A1HPGDTSHR
SCHEMBL17003710 1.00 DGAT2 (0.52) DGAT2MGAT2ALDH1A1HPGDTSHR
SCHEMBL17002715 1.00 DGAT2 (0.52) DGAT2MGAT2ALDH1A1HPGDTSHR
SCHEMBL28885393 0.90 DGAT2 (0.48) DGAT2MGAT2ALDH1A1HPGDTSHR
SCHEMBL22887359 0.86 TSHR (0.55) DGAT2MGAT2ALDH1A1HPGDTSHR
SCHEMBL24411136 0.86 TSHR (0.55) DGAT2MGAT2ALDH1A1HPGDTSHR
SCHEMBL24890704 0.84 DGAT2 (0.44) DGAT2MGAT2ALDH1A1HPGDTSHR
SCHEMBL17003109 0.84 DGAT2 (0.44) DGAT2MGAT2ALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 — — US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 — — US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 — — US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 — — US disclosed
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2022-04-26 — — US disclosed
US-11021427-B2 Pd(II)-catalyzed enantioselective C—H arylation of free carboxylic acids THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-01 — — US disclosed
US-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2021-01-07 — — US disclosed
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2020-12-08 — — 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 (6 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-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK DGAT2 1211/4885MGAT2 3698/4885ALDH1A1 2932/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK DGAT2 1211/4885MGAT2 3698/4885ALDH1A1 2932/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK DGAT2 1211/4885MGAT2 3698/4885ALDH1A1 2932/4885
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK DGAT2 1211/4885MGAT2 3698/4885ALDH1A1 2932/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK DGAT2 1211/4885MGAT2 3698/4885ALDH1A1 2932/4885
US-11021427-B2 Pd(II)-catalyzed enantioselective C—H arylation of free carboxylic acids PDCD1, PDK3, PDCD1LG2 DGAT2 60/4885MGAT2 1097/4885ALDH1A1 135/4885

“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.

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