SCHEMBL4934732

SCHEMBL4934732

CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3N)C(=O)N2[C@H]1C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.75
▸ HRH1 P35367 1/20 0.75
▸ SLC22A8 Q8TCC7 1/20 0.75
▸ POLB P06746 2/20 0.62
▸ CYP3A4 P08684 2/20 0.62
▸ FPR1 P21462 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ KDM4E B2RXH2 6/20 0.60
▸ RECQL P46063 3/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ SLC15A2 Q16348 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ TEK Q02763 1/20 0.60
▸ LMNA P02545 5/20 0.59
▸ TSHR P16473 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58

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
SCHEMBL9528755 1.00 CYP2C19 (0.75) CYP2C19HRH1SLC22A8POLBCYP3A4
SCHEMBL9580302 1.00 CYP2C19 (0.75) CYP2C19HRH1SLC22A8POLBCYP3A4
SCHEMBL9325621 1.00 CYP2C19 (0.75) CYP2C19HRH1SLC22A8POLBCYP3A4
Hydrochloric Acid SCHEMBL11802688 0.99 CYP2C19 (0.74) CYP2C19HRH1SLC22A8POLBCYP3A4
Water SCHEMBL10924164 0.99 CYP2C19 (0.74) CYP2C19HRH1SLC22A8POLBCYP3A4
SCHEMBL11546552 0.90 CYP3A4 (0.71) CYP2C19HRH1SLC22A8POLBCYP3A4
SCHEMBL11590266 0.90 CYP2C19 (0.75) CYP2C19HRH1SLC22A8POLBCYP3A4
SCHEMBL11590270 0.90 CYP2C19 (0.75) CYP2C19HRH1SLC22A8POLBCYP3A4
Hydrochloric Acid SCHEMBL11708138 0.89 CYP2C19 (0.74) CYP2C19HRH1SLC22A8POLBCYP3A4
SCHEMBL11707564 0.89 CYP2C19 (0.74) CYP2C19HRH1SLC22A8POLBCYP3A4

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
US-11534438-B2 Composition containing piperacillin, pharmaceutical formulation thereof and use thereof XIANGBEI WELMAN PHARMACEUTICAL CO., LTD. (CN) 2022-12-27 — — US disclosed
US-20210069183-A1 COMPOSITION CONTAINING PIPERACILLIN, PHARMACEUTICAL FORMULATION THEREOF AND USE THEREOF XIANGBEI WELMAN PHARMACEUTICAL CO., LTD. (CN) 2021-03-11 — — US disclosed
EP-3094492-B1 LAMINATED BAG FOR PHARMACEUTICALS CENTRIENT PHARMACEUTICALS NETHERLANDS B V (NL) 2019-05-15 — — EP disclosed
EP-3094492-A1 LAMINATED BAG FOR PHARMACEUTICALS DSM Sinochem Pharmaceuticals Netherlands B.V. (NL) 2016-11-23 — — EP disclosed
US-20160331638-A1 LAMINATED BAG FOR PHARMACEUTICALS Centrient Pharmaceuticals Netherlands B.V. (NL) 2016-11-17 — — US disclosed
WO-2015107016-A1 LAMINATED BAG FOR PHARMACEUTICALS DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2015-07-23 — — WO disclosed
US-20080139545-A1 FORMULATION TO TREAT EAR INFECTION CHOE WON-TAEK 2008-06-12 — — US disclosed
US-20060134226-A1 Compositions useful to treat ocular neovascular diseases and macular degeneration NU-TEIN CO., LTD. 2006-06-22 — — US disclosed
US-20060122282-A1 METHOD FOR TREATING SKIN DISORDERS WITH XANTHOPHYLLS NU-TEIN CO., INC. 2006-06-08 — — US disclosed
EP-0638649-B1 New use of alcaligenes faecalis penicillin G acylase DSM NV (NL) 1999-11-17 — — EP disclosed
EP-0638649-A2 New use of alcaligenes faecalis penicillin G acylase GIST-BROCADES N.V. (NL) 1995-02-15 — — 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 (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-20060134226-A1 Compositions useful to treat ocular neovascular diseases and macular degeneration CFD, VEGFA, CFH CYP2C19 2676/4885HRH1 1850/4885SLC22A8 481/4885
US-20060122282-A1 METHOD FOR TREATING SKIN DISORDERS WITH XANTHOPHYLLS COL1A1, COL2A1, KRT18 CYP2C19 2473/4885HRH1 3845/4885SLC22A8 1507/4885

“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.

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