SCHEMBL3393314

SCHEMBL3393314

CC(=O)N(c1ccccc1C(=O)O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
KDM4E B2RXH2 3/20 0.47
GLA P06280 1/20 0.47
PTPN1 P18031 5/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C1 Q04828 1/20 0.42
CDC25B P30305 1/20 0.42
CTSD P07339 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DTYMK P23919 1/20 0.41

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
SCHEMBL8184876 0.84 KDM4E (0.62) KDM4EGLAALDH1A1MEN1MAPT
SCHEMBL10527436 0.83 ATM (0.43) TSHRALDH1A1MEN1MAPTKMT2A
SCHEMBL6535043 0.83 TSHR (0.47) TSHRKDM4EGLAPTPN1ALDH1A1
SCHEMBL10361781 0.78 TSHR (0.50) TSHRKDM4EGLAPTPN1ALDH1A1
SCHEMBL4609556 0.77 TSHR (0.54) TSHRKDM4EGLAALDH1A1MEN1
SCHEMBL8034169 0.76 PTPN1 (0.50) TSHRPTPN1ALDH1A1MEN1KMT2A
Trimethylammonium SCHEMBL28659606 0.76 TSHR (0.64) TSHRKDM4EGLAALDH1A1MEN1
SCHEMBL28600471 0.75 ALDH1A1 (0.53) TSHRKDM4EGLAPTPN1ALDH1A1
SCHEMBL29696138 0.75 TSHR (0.67) TSHRKDM4EALDH1A1MEN1GAA
SCHEMBL30727560 0.75 TSHR (0.67) TSHRKDM4EALDH1A1MEN1GAA

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12480111-B2 Penicillin-G acylases CODEXIS, INC. (US) 2025-11-25 US disclosed
US-20250346882-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2025-11-13 US disclosed
US-12378541-B2 Penicillin-G acylases CODEXIS, INC. (US) 2025-08-05 US disclosed
US-20250034543-A1 PENICILLIN-G ACYLASES CODEXIS INC (US) 2025-01-30 US disclosed
US-20240409916-A1 PENICILLIN-G ACYLASES CODEXIS INC (US) 2024-12-12 US disclosed
US-12084697-B2 Penicillin-G acylases CODEXIS, INC. (US) 2024-09-10 US disclosed
US-11965192-B2 Penicillin-G acylases CODEXIS, INC. (US) 2024-04-23 US disclosed
US-20230272363-A1 PENICILLIN-G ACYLASES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2023-08-31 US disclosed
US-20230227805-A1 PENICILLIN-G ACYLASES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2023-07-20 US disclosed
US-11643642-B2 Penicillin-g acylases CODEXIS, INC. (US) 2023-05-09 US disclosed
EP-3292136-A1 PENICILLIN-G ACYLASES Codexis, Inc. (US) 2018-03-14 EP disclosed
WO-2017193022-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2017-11-09 WO disclosed
US-20170321202-A1 PENICILLIN-G ACYLASES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2017-11-09 US disclosed
WO-2016179464-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2016-11-10 WO disclosed
US-20160326508-A1 PENICILLIN-G ACYLASES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-11-10 US disclosed
US-8569013-B2 Penicillin-G acylases CODEXIS, INC. (US) 2013-10-29 US disclosed
US-20120270282-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2012-10-25 US disclosed
US-8247192-B2 Penicillin-G acylases CODEXIS, INC. (US) 2012-08-21 US disclosed
US-20100143968-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-06-10 US disclosed
WO-2010054319-A2 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-05-14 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 (7 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-20120270282-A1 PENICILLIN-G ACYLASES PGLS, PNP, NAAA TSHR 4126/4885KDM4E 1645/4885GLA 101/4885
US-20250034543-A1 PENICILLIN-G ACYLASES NAAA, PGLS, PNP TSHR 4074/4885KDM4E 1547/4885GLA 94/4885
US-20240409916-A1 PENICILLIN-G ACYLASES NAAA, PGLS, PNP TSHR 3862/4885KDM4E 1732/4885GLA 89/4885
US-11965192-B2 Penicillin-G acylases NAAA, PGLS, PNP TSHR 4074/4885KDM4E 1547/4885GLA 94/4885
US-12084697-B2 Penicillin-G acylases NAAA, PGLS, PNP TSHR 3862/4885KDM4E 1732/4885GLA 89/4885
US-20100143968-A1 PENICILLIN-G ACYLASES PGLS, PNP, NAAA TSHR 4126/4885KDM4E 1645/4885GLA 101/4885
US-20230227805-A1 PENICILLIN-G ACYLASES NAAA, PGLS, PNP TSHR 3862/4885KDM4E 1732/4885GLA 89/4885

“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.