SCHEMBL14873239

SCHEMBL14873239

CC(C)C(O)c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.52
ADRB1 P08588 2/20 0.52
AOC3 Q16853 1/20 0.52
HIF1A Q16665 3/20 0.46
CYP2D6 P10635 2/20 0.46
NFKB1 P19838 2/20 0.46
BLM P54132 2/20 0.44
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
PNMT P11086 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
ACP3 P15309 1/20 0.40
CASP1 P29466 1/20 0.40
TSHR P16473 3/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
IDO2 Q6ZQW0 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
SCHEMBL31521478 1.00 ADRB2 (0.52) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL17407623 1.00 ADRB2 (0.52) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL11606505 0.88 TSHR (0.50) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL29528586 0.87 ADRB2 (0.49) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL247810 0.87 ADRB2 (0.49) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL29528706 0.87 ADRB2 (0.49) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL252461 0.87 ADRB2 (0.49) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL253946 0.87 ADRB2 (0.49) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL16071133 0.87 ADRB2 (0.49) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL252462 0.87 ADRB2 (0.49) ADRB2ADRB1AOC3HIF1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-8980934-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2015-03-17 US disclosed
US-8980934-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2015-03-17 US disclosed
US-8980934-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2015-03-17 US disclosed
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-12-18 US disclosed
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-12-18 US disclosed
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-12-18 US disclosed
US-20140051679-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERISTY HEALTH NETWORKS (CA) 2014-02-20 US disclosed
US-20140005167-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2014-01-02 US disclosed
WO-2013053051-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2013-04-18 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 (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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL ADRB2 1466/4885ADRB1 1005/4885AOC3 4715/4885
US-20140005167-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K7, MAP3K1, MAP3K20 ADRB2 2547/4885ADRB1 1974/4885AOC3 4801/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL ADRB2 1466/4885ADRB1 1005/4885AOC3 4715/4885
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME PLK4, PLK2, PLK3 ADRB2 2736/4885ADRB1 2137/4885AOC3 3604/4885
US-20140051679-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K7, MAP3K1, MAP3K20 ADRB2 2547/4885ADRB1 1974/4885AOC3 4801/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 ADRB2 1319/4885ADRB1 827/4885AOC3 4787/4885

“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.