SCHEMBL13536730

SCHEMBL13536730

O=C(NC(Cc1cccc(Br)c1)C(=O)O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.55
ITGAV P06756 1/20 0.55
ITGA2B P08514 5/20 0.55
TACR1 P25103 2/20 0.54
CTSL P07711 2/20 0.53
CTSB P07858 2/20 0.53
CTSS P25774 2/20 0.53
CTSK P43235 1/20 0.53
TYR P14679 1/20 0.53
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
FPR2 P25090 2/20 0.51
MME P08473 1/20 0.51
ECE1 P42892 1/20 0.51

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
SCHEMBL22636227 1.00 ITGB3 (0.55) ITGB3ITGAVITGA2BTACR1CTSL
SCHEMBL22636060 0.92 TYR (0.56) TACR1CTSLCTSBCTSSCTSK
SCHEMBL22636059 0.92 TYR (0.56) TACR1CTSLCTSBCTSSCTSK
SCHEMBL16224709 0.90 ALDH1A1 (0.59) TACR1CTSLCTSBCTSSCTSK
SCHEMBL5122829 0.90 ALDH1A1 (0.59) TACR1CTSLCTSBCTSSCTSK
SCHEMBL9825830 0.87 TYR (0.58) ITGB3ITGAVITGA2BTACR1CTSL
SCHEMBL2975870 0.87 ITGB3 (0.63) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL5288135 0.87 TYR (0.58) ITGB3ITGAVITGA2BTACR1CTSL
SCHEMBL502349 0.87 ITGB3 (0.63) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL220648 0.86 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3966226-B1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AG (DE) 2025-12-24 EP disclosed
US-12503491-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2025-12-23 US disclosed
US-20240124522-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2024-04-18 US disclosed
US-11667675-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2023-06-06 US disclosed
CN-114585637-A MASP inhibiting compounds and uses thereof 拜耳公司 2022-06-03 CN disclosed
EP-3966226-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF Bayer Aktiengesellschaft (DE) 2022-03-16 EP disclosed
US-20210246166-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2021-08-12 US disclosed
WO-2020225095-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-11-12 WO disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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-12503491-B2 MASP inhibitory compounds and uses thereof MASP2, SERPINB1, SPINT2 ITGB3 2938/4885ITGAV 3112/4885ITGA2B 3093/4885
US-11667675-B2 MASP inhibitory compounds and uses thereof MASP2, SERPINB1, SPINT2 ITGB3 2938/4885ITGAV 3112/4885ITGA2B 3093/4885
US-20240124522-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF MASP2, SERPINB1, SPINT2 ITGB3 2938/4885ITGAV 3112/4885ITGA2B 3093/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 ITGB3 3707/4885ITGAV 3858/4885ITGA2B 4108/4885
US-20210246166-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF MASP2, SERPINB1, SPINT2 ITGB3 2938/4885ITGAV 3112/4885ITGA2B 3093/4885

“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.