SCHEMBL20968263

SCHEMBL20968263

Oc1ccc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.56
CHUK O15111 1/20 0.54
TXNRD1 Q16881 1/20 0.54
NOX4 Q9NPH5 1/20 0.54
S1PR3 Q99500 3/20 0.52
LMNA P02545 1/20 0.51
THRB P10828 1/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
CASP3 P42574 3/20 0.47
NPSR1 Q6W5P4 1/20 0.44
SMPD1 P17405 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
STAT3 P40763 1/20 0.42

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
SCHEMBL20968232 0.90 CHUK (0.56) S1PR1CHUKTXNRD1NOX4S1PR3
SCHEMBL20968205 0.89 S1PR1 (0.54) S1PR1CHUKTXNRD1NOX4S1PR3
SCHEMBL20968189 0.88 RAB9A (0.47) S1PR1LMNANPC1RAB9ANR1H4
SCHEMBL20968275 0.86 SMN1; SMN2 (0.52) S1PR1CHUKTXNRD1NOX4NPC1
SCHEMBL20968272 0.86 S1PR1 (0.56) S1PR1CHUKTXNRD1NOX4S1PR3
SCHEMBL20968198 0.84 S1PR1 (0.55) S1PR1CHUKTXNRD1NOX4S1PR3
SCHEMBL3053264 0.84 LMNA (0.60) S1PR1CHUKTXNRD1NOX4S1PR3
SCHEMBL3061859 0.82 LMNA (0.62) S1PR1CHUKTXNRD1NOX4S1PR3
SCHEMBL13089335 0.82 LMNA (0.62) S1PR1CHUKTXNRD1NOX4S1PR3
SCHEMBL3070197 0.80 LMNA (0.62) S1PR1CHUKTXNRD1NOX4S1PR3

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 S1PR1 2372/4885CHUK 2632/4885TXNRD1 2937/4885
US-20190127340-A1 NON-BETA LACTAM ANTIBIOTICS OXA1L, O60361, CUTA S1PR1 2372/4885CHUK 2632/4885TXNRD1 2937/4885

“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.