SCHEMBL21628547

SCHEMBL21628547

CNC(=O)c1cnc(Oc2ccc(C(F)(F)C(F)(F)C(F)(F)F)cc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGER4 P35408 1/20 0.41
RAF1 P04049 3/20 0.41
HPGDS O60760 1/20 0.40
MMP13 P45452 1/20 0.39
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
BRAF P15056 1/20 0.38
PTK2 Q05397 2/20 0.37
SCN9A Q15858 1/20 0.37
LIPE Q05469 2/20 0.37
LMNA P02545 2/20 0.37
S1PR2 O95136 1/20 0.37
PLK1 P53350 2/20 0.36

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
SCHEMBL21628534 0.97 SMN1; SMN2 (0.42) HPGDTSHRHTTSMN1; SMN2PTGER4
SCHEMBL21628391 0.93 HPGD (0.44) HPGDTSHRHTTSMN1; SMN2PTGER4
SCHEMBL21628419 0.90 HDAC6 (0.42) PTGER4
SCHEMBL21628409 0.89 HPGD (0.44) HPGDTSHRHTTSMN1; SMN2PTGER4
SCHEMBL21628565 0.89 RAF1 (0.48) HPGDTSHRHTTSMN1; SMN2PTGER4
SCHEMBL21628605 0.88 LMNA (0.47) HPGDSMN1; SMN2PTGER4LIPELMNA
SCHEMBL21628668 0.87 HDAC6 (0.42) PTGER4
SCHEMBL21628439 0.86 SMN1; SMN2 (0.47) HPGDTSHRHTTSMN1; SMN2PTGER4
SCHEMBL21628709 0.86 PTGER4 (0.43) SMN1; SMN2PTGER4SCN9ALMNA
SCHEMBL21628486 0.85 SMN1; SMN2 (0.40) SMN1; SMN2PTGER4HPGDSICAM1SELE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600696-B2 Aromatic compounds Xeniopro GmbH (DE) 2026-04-14 US disclosed
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
US-20230150923-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-05-18 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2022-11-03 US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 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 (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-20230150923-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885TSHR 3747/4885HTT 550/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885TSHR 3747/4885HTT 550/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK HPGD 2313/4885TSHR 3622/4885HTT 304/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885TSHR 3747/4885HTT 550/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR HPGD 3694/4885TSHR 719/4885HTT 703/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885TSHR 3747/4885HTT 550/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885TSHR 3747/4885HTT 550/4885

“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.