SCHEMBL20968232

SCHEMBL20968232

Oc1ccc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.56
TXNRD1 Q16881 1/20 0.56
NOX4 Q9NPH5 1/20 0.56
S1PR1 P21453 9/20 0.55
S1PR3 Q99500 3/20 0.54
LMNA P02545 1/20 0.53
THRB P10828 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NR1H4 Q96RI1 1/20 0.49
CASP3 P42574 3/20 0.49
PTPN1 P18031 2/20 0.47
PTPN2 P17706 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
SMPD1 P17405 1/20 0.45

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
SCHEMBL20968263 0.90 S1PR1 (0.56) CHUKTXNRD1NOX4S1PR1S1PR3
SCHEMBL3053264 0.86 LMNA (0.60) CHUKTXNRD1NOX4S1PR1S1PR3
SCHEMBL20968187 0.86 MAPT (0.48) S1PR1NPC1RAB9ANR1H4PTPN1
SCHEMBL20968205 0.84 S1PR1 (0.54) CHUKTXNRD1NOX4S1PR1S1PR3
SCHEMBL3061859 0.82 LMNA (0.62) CHUKTXNRD1NOX4S1PR1S1PR3
SCHEMBL35210425 0.82 S1PR1 (0.66) S1PR1S1PR3LMNATHRBNPC1
SCHEMBL13089335 0.82 LMNA (0.62) CHUKTXNRD1NOX4S1PR1S1PR3
SCHEMBL3070197 0.82 LMNA (0.62) CHUKTXNRD1NOX4S1PR1S1PR3
SCHEMBL20968294 0.81 S1PR1 (0.56) CHUKTXNRD1NOX4S1PR1S1PR3
SCHEMBL3057686 0.81 LMNA (0.60) CHUKTXNRD1NOX4S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662164-B2 Non-beta lactam antibiotics UNIVERSITY OF NOTRE DAME DU LAC (US) 2020-05-26 US disclosed
US-20190127340-A1 NON-BETA LACTAM ANTIBIOTICS UNIVERSITY OF NOTRE DAME DU LAC 2019-05-02 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 (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-10662164-B2 Non-beta lactam antibiotics OXA1L, O60361, CUTA CHUK 2632/4885TXNRD1 2937/4885NOX4 3732/4885
US-20190127340-A1 NON-BETA LACTAM ANTIBIOTICS OXA1L, O60361, CUTA CHUK 2632/4885TXNRD1 2937/4885NOX4 3732/4885

“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.