SCHEMBL4522264

SCHEMBL4522264

COC(=O)[C@H]1CCC[C@@H](OS(=O)(=O)c2ccc(C)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.48
TSHR P16473 1/20 0.47
ENPP3 O14638 2/20 0.46
ENPP1 P22413 2/20 0.46
ENPP2 Q13822 2/20 0.46
POLB P06746 2/20 0.41
ALDH1A1 P00352 5/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
MMP2 P08253 1/20 0.40
ANPEP P15144 1/20 0.40
MMP1 P03956 1/20 0.40
ADAM17 P78536 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL22230736 1.00 CYP2D6 (0.48) CYP2D6TSHRENPP3ENPP1ENPP2
SCHEMBL4522270 1.00 CYP2D6 (0.48) CYP2D6TSHRENPP3ENPP1ENPP2
SCHEMBL4522267 1.00 CYP2D6 (0.48) CYP2D6TSHRENPP3ENPP1ENPP2
SCHEMBL10452485 0.92 CYP2D6 (0.50) CYP2D6TSHRENPP3ENPP1ENPP2
SCHEMBL10452486 0.92 CYP2D6 (0.50) CYP2D6TSHRENPP3ENPP1ENPP2
SCHEMBL10452488 0.92 CYP2D6 (0.50) CYP2D6TSHRENPP3ENPP1ENPP2
SCHEMBL401342 0.88 CYP2D6 (0.50) CYP2D6TSHRENPP3ENPP1ENPP2
SCHEMBL25544479 0.88 CYP2D6 (0.50) CYP2D6TSHRENPP3ENPP1ENPP2
SCHEMBL401343 0.88 CYP2D6 (0.50) CYP2D6TSHRENPP3ENPP1ENPP2
SCHEMBL28896946 0.87 TSHR (0.59) CYP2D6TSHRENPP3ENPP1ENPP2

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 14 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
US-12378204-B2 Triazole compounds and preparation method therefor and use thereof 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
CN-112654606-B Triazole compound as well as preparation method and application thereof 武汉朗来科技发展有限公司 2023-11-07 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
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
CN-112654606-A Triazole compound and preparation method and application thereof 武汉朗来科技发展有限公司 2021-04-13 CN disclosed
WO-2020147740-A1 TRIAZOLE COMPOUNDS, AND PREPARATION METHOD THEREOF AND USE 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
CN-111434653-A Triazole compound and preparation method and application thereof 武汉朗来科技发展有限公司 2020-07-21 CN disclosed
CN-111434655-A Lysophosphatidic acid receptor antagonists and process for their preparation 武汉朗来科技发展有限公司 2020-07-21 CN disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-20080176898-A1 Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate BAYER HEALTHCARE AG (DE) 2008-07-24 US disclosed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 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-20080176898-A1 Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate LTC4S, LTB4R2, LTB4R CYP2D6 2151/4885TSHR 4051/4885ENPP3 360/4885
US-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A CYP2D6 65/4885TSHR 2943/4885ENPP3 1367/4885
US-12377083-B2 Lysophosphatidic acid receptor antagonist and preparation method therefor LPAR1, LPAR2, LPAR4 CYP2D6 2911/4885TSHR 495/4885ENPP3 633/4885
US-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR LPAR1, LPAR2, LPAR4 CYP2D6 2911/4885TSHR 495/4885ENPP3 633/4885
US-12378204-B2 Triazole compounds and preparation method therefor and use thereof LPAR1, LPAR3, FFAR1 CYP2D6 2741/4885TSHR 1003/4885ENPP3 892/4885

“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.