SCHEMBL22386453

SCHEMBL22386453

O=S1(=O)C2=C(c3ccccc31)c1cc3cc4c(cc3cc1=C2c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1=C(C=4c2cc(C(F)(F)F)cc(C(F)(F)F)c2)S(=O)(=O)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA1 P00915 1/20 0.31
▸ TACR1 P25103 3/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ RORB Q92753 1/20 0.30

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
SCHEMBL22386440 0.90 MAPT (0.34) MAOBGPR3MEN1KMT2ACYP1A2
SCHEMBL22386517 0.85 SLC9A1 (0.30) —
SCHEMBL22386510 0.85 CYP1A1 (0.31) CYP1A2CYP2C9CYP2C19
SCHEMBL22386488 0.83 GPR3 (0.36) MAOBGPR3
SCHEMBL22386460 0.81 — —
SCHEMBL22386459 0.81 — —
SCHEMBL22386438 0.80 NPC1 (0.37) GPR3MEN1KMT2AHPGDNPSR1
SCHEMBL22386507 0.74 GPR3 (0.33) GPR3MEN1KMT2AHPGD
SCHEMBL22386441 0.73 GPR3 (0.36) MAOBGPR3
SCHEMBL22386456 0.72 POLB (0.36) GPR3MEN1KMT2APOLB

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-11021489-B2 Polycyclic aromatic compound embodiments and methods of making and using the same UNIVERSITY OF OREGON (US) 2021-06-01 — — US disclosed
US-20200277302-A1 POLYCYCLIC AROMATIC COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME UNIVERSITY OF OREGON (US) 2020-09-03 — — 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-20200277302-A1 POLYCYCLIC AROMATIC COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME AHR, EED, ARNT MAOB 1624/4885GPR3 1589/4885MEN1 1104/4885
US-11021489-B2 Polycyclic aromatic compound embodiments and methods of making and using the same AHR, EED, ARNT MAOB 1624/4885GPR3 1589/4885MEN1 1104/4885

“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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