SCHEMBL22230641

SCHEMBL22230641

CCOC(=O)c1c(C)cnn1-c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 2/20 0.50
SLC5A1 P13866 1/20 0.50
SLC5A2 P31639 1/20 0.50
HPGD P15428 3/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
DUSP3 P51452 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
NPC1 O15118 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL16059706 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRRAB9ASLC5A1
SCHEMBL16060546 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRRAB9ASLC5A1
SCHEMBL4553650 0.86 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TSHRRAB9AHPGD
SCHEMBL16060929 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRRAB9ASLC5A1
SCHEMBL16060204 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRRAB9AHPGD
SCHEMBL29036240 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRRAB9ASLC5A1
SCHEMBL8339357 0.81 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TSHRRAB9ASLC5A1
SCHEMBL24304007 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRRAB9ASLC5A1
SCHEMBL4948312 0.78 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2TSHRRAB9AHPGD
SCHEMBL14710979 0.78 SLC5A1 (0.59) ALDH1A1SMN1; SMN2TSHRSLC5A1SLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12377083-B2 Lysophosphatidic acid receptor antagonist and preparation method therefor WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2025-08-05 US disclosed
CN-112771027-B Lysophosphatidic acid receptor antagonists and process for preparing the same 武汉朗来科技发展有限公司 2024-03-05 CN disclosed
US-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2022-03-17 US disclosed
US-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2022-03-17 US disclosed
EP-3912975-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 EP disclosed
EP-3912975-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 EP disclosed
CN-112771027-A Lysophosphatidic acid receptor antagonists and process for their preparation 武汉朗来科技发展有限公司 2021-05-07 CN disclosed
WO-2020147739-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR 武汉朗来科技发展有限公司 2020-07-23 WO disclosed
WO-2020147739-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR 武汉朗来科技发展有限公司 2020-07-23 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-12377083-B2 Lysophosphatidic acid receptor antagonist and preparation method therefor LPAR1, LPAR2, LPAR4 ALDH1A1 2782/4885SMN1; SMN2 2569/4885TSHR 495/4885
US-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR LPAR1, LPAR2, LPAR4 ALDH1A1 2782/4885SMN1; SMN2 2569/4885TSHR 495/4885

“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.