SCHEMBL29614591

SCHEMBL29614591

NCCB(c1ccccc1)c1ccc(COCc2ccc(B(CCN)c3ccccc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
LYPLA1 O75608 1/20 0.45
LYPLA2 O95372 1/20 0.45
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
TRPM2 O94759 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TACR1 P25103 2/20 0.38
IDO1 P14902 3/20 0.36
AGXT P21549 3/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL29614620 0.85 TSHR (0.44) TSHRLYPLA1LYPLA2KDM4EMEN1
SCHEMBL9013795 0.82 CYP1A2 (0.46) TSHRKDM4EMEN1TRPM2ALDH1A1
SCHEMBL1554914 0.76 TSHR (0.73) TSHRLYPLA1LYPLA2KDM4EMEN1
SCHEMBL2400633 0.73 TRPV6 (0.58) TSHRLYPLA1LYPLA2KDM4EPOLB
SCHEMBL9795394 0.71 TSHR (0.94) TSHRKDM4ETACR1IDO1AGXT
SCHEMBL2399799 0.70 LYPLA1 (0.55) TSHRLYPLA1LYPLA2KDM4EMEN1
SCHEMBL178228 0.69 TSHR (0.62) TSHRLYPLA1LYPLA2KDM4EPOLB
SCHEMBL12266167 0.69 TSHR (0.61) TSHRLYPLA1LYPLA2KDM4EMEN1
SCHEMBL5311581 0.68 TSHR (1.00) TSHRKDM4EALDH1A1CYP1A2TACR1
SCHEMBL27380 0.68 TSHR (1.00) TSHRKDM4EALDH1A1CYP1A2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12544371-B2 Methods and compositions for treating acute lung injury and acute respiratory distress syndrome CALCIMEDICA, INC. (US) 2026-02-10 US disclosed
US-20250120969-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS AVENUE CAPITAL MANAGEMENT II, L.P. 2025-04-17 US disclosed
EP-4465988-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS Calcimedica, Inc. (US) 2024-11-27 EP disclosed
CN-118871110-A Methods and compositions for treating inflammatory lesions of the lung 钙医学公司 2024-10-29 CN disclosed
US-12036241-B2 Compositions and methods for immune cell modulation in adoptive immunotherapies FATE THERAPEUTICS, INC. (US) 2024-07-16 US disclosed
EP-3989979-B1 CAPACITATIVE CALCIUM ENTRY INHIBITORS UNIV PARIS SACLAY (FR) 2024-06-12 EP disclosed
WO-2023141523-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS CALCIMEDICA, INC. (US) 2023-07-27 WO disclosed
US-20230120819-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME AVENUE CAPITAL MANAGEMENT II, L.P. 2023-04-20 US disclosed
CN-115835878-A Methods and compositions for treating acute lung injury and acute respiratory distress syndrome 钙医学公司 2023-03-21 CN disclosed
EP-4121089-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME Calcimedica, Inc. (US) 2023-01-25 EP disclosed
US-20220362267-A1 CAPACITATIVE CALCIUM ENTRY INHIBITORS Sorbonne Université (FR) 2022-11-17 US disclosed
EP-3989979-A1 CAPACITATIVE CALCIUM ENTRY INHIBITORS Université Paris-Saclay (FR) 2022-05-04 EP 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 (4 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-12544371-B2 Methods and compositions for treating acute lung injury and acute respiratory distress syndrome ORAI1, MAVS, CASR TSHR 3502/4885LYPLA1 3217/4885LYPLA2 2604/4885
US-20250120969-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS IL1B, MAVS, MMP8 TSHR 4488/4885LYPLA1 3160/4885LYPLA2 2751/4885
US-20230120819-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME MAVS, ATF1, IL1B TSHR 4369/4885LYPLA1 3196/4885LYPLA2 2822/4885
US-20220362267-A1 CAPACITATIVE CALCIUM ENTRY INHIBITORS ORAI1, SARAF, ORAI2 TSHR 2854/4885LYPLA1 3000/4885LYPLA2 2724/4885

“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.