SCHEMBL13950285

SCHEMBL13950285

Cc1ccc(NS(=O)(=O)c2ccc(OC(C)C)cc2)c(Oc2cccnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ MRGPRX1 Q96LB2 2/20 0.51
▸ FFAR4 Q5NUL3 3/20 0.49
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NAMPT P43490 2/20 0.44
▸ CCR2 P41597 2/20 0.44
▸ TRIM24 O15164 1/20 0.44
▸ BRD1 O95696 1/20 0.44
▸ BRPF1 P55201 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CKS1B P61024 1/20 0.42
▸ SKP2 Q13309 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL28063 0.89 CCR2 (0.50) LMNAALDH1A1FFAR4HTTSMN1; SMN2
SCHEMBL13077435 0.89 ALDH1A1 (0.52) LMNAALDH1A1MRGPRX1FFAR4HTT
SCHEMBL28093 0.78 CCR2 (0.52) LMNAALDH1A1FFAR4HTTSMN1; SMN2
SCHEMBL13586893 0.77 ALDH1A1 (0.57) LMNAALDH1A1FFAR4HTTSMN1; SMN2
SCHEMBL12051105 0.72 CCR9 (0.66) LMNAFFAR4HTTMAPTKMT2A
SCHEMBL13484278 0.72 FFAR4 (0.55) ALDH1A1FFAR4HTTSMN1; SMN2POLB
SCHEMBL14458036 0.71 NAMPT (0.49) LMNAALDH1A1NAMPTCCR2POLB
SCHEMBL344756 0.71 CCR9 (0.78) LMNAHTT
SCHEMBL13077398 0.70 FFAR4 (0.53) LMNAALDH1A1FFAR4HTTSMN1; SMN2
SCHEMBL17737455 0.70 IDO1 (0.55) LMNAALDH1A1FFAR4HTTNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054495-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2009-02-26 — — 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-20090054495-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 LMNA 3548/4885ALDH1A1 2607/4885MRGPRX1 72/4885

“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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