SCHEMBL17464762

SCHEMBL17464762

O=S(=O)(C1CCCCC1)N1CCCC(Cn2ccc3cc(-c4cn[nH]n4)ccc32)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
HTR6 P50406 1/20 0.35
KDM1A O60341 3/20 0.33
MTOR P42345 3/20 0.33
GRM2 Q14416 2/20 0.33
PIK3CA P42336 2/20 0.33
ATM Q13315 1/20 0.33
CNR2 P34972 4/20 0.33
CNR1 P21554 3/20 0.33
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
PAK4 O96013 1/20 0.32
PIM1 P11309 1/20 0.32
KDR P35968 1/20 0.32
GSK3B P49841 1/20 0.32
AURKB Q96GD4 1/20 0.32
HSD11B1 P28845 1/20 0.32
ACP1 P24666 1/20 0.32
GSK3A P49840 1/20 0.31

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
SCHEMBL17464735 0.87 ACP1 (0.40) ACHEHTR6ATMHSD11B1ACP1
SCHEMBL17464757 0.87 MTOR (0.40) ACHEHTR6KDM1AMTORGRM2
SCHEMBL17464715 0.86 MTOR (0.39) ACHEHTR6KDM1AMTORGRM2
SCHEMBL17464722 0.85 ACHE (0.39) ACHEHSD11B1ACP1
SCHEMBL17464755 0.84 MTOR (0.40) HTR6MTORGRM2ATMROCK2
SCHEMBL17464718 0.83 HTR6 (0.41) HTR6HSD11B1ACP1
SCHEMBL17464760 0.80 KDM4E (0.42) CNR2
SCHEMBL17464765 0.79 HTR6 (0.38) HTR6MTORGRM2ATMROCK2
SCHEMBL17464732 0.77 MTOR (0.41) ACHEHTR6KDM1AMTORGRM2
SCHEMBL17458592 0.76 HRH3 (0.38) KDM1AMTORGRM2ATMROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701663-B2 Sulfonamide retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2017-07-11 US disclosed
US-9701663-B2 Sulfonamide retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2017-07-11 US disclosed
US-20160024056-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2016-01-28 US disclosed
WO-2016014910-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 WO disclosed
US-20160024056-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2016-01-28 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 (1 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-20160024056-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARA, RARB, RXRA ACHE 4600/4885HTR6 2847/4885KDM1A 2537/4885

“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.