SCHEMBL22375467

SCHEMBL22375467

Cc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)n(-c2cncc3ccccc23)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ POLB P06746 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ MALT1 Q9UDY8 1/20 0.38
▸ EGFR P00533 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ CYP17A1 P05093 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KEAP1 Q14145 2/20 0.38
▸ NFE2L2 Q16236 2/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ TERT O14746 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ MCL1 Q07820 1/20 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
SCHEMBL15218540 0.88 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2LMNAPKM
SCHEMBL15209654 0.86 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2LMNAMALT1
SCHEMBL15209201 0.77 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2LMNAPKM
SCHEMBL15218534 0.76 POLB (0.48) ALDH1A1POLBSMN1; SMN2LMNACYP17A1
SCHEMBL15218533 0.76 IDO1 (0.39) POLBMALT1KDR
SCHEMBL15218527 0.74 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2LMNAMEN1
SCHEMBL15218513 0.71 ALDH1A1 (0.48) ALDH1A1POLBSMN1; SMN2LMNAEGFR
SCHEMBL15218549 0.69 ALDH1A1 (0.49) ALDH1A1POLBSMN1; SMN2LMNAMAPT
SCHEMBL15218539 0.69 ALDH1A1 (0.49) ALDH1A1POLBSMN1; SMN2LMNAEGFR
SCHEMBL15218546 0.69 ALDH1A1 (0.49) ALDH1A1POLBSMN1; SMN2LMNAMAPT

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-20200268751-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE USING A COMBINATION THERAPY OF SMALL MOLECULE INHIBITORS OF C-C CHEMOKINE RECEPTOR TYPE 9 (CCR9) AND ANTI-ALPHA4BETA7 INTEGRIN BLOCKING ANTIBODIES CHEMOCENTRYX INC (US) 2020-08-27 — — 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-20200268751-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE USING A COMBINATION THERAPY OF SMALL MOLECULE INHIBITORS OF C-C CHEMOKINE RECEPTOR TYPE 9 (CCR9) AND ANTI-ALPHA4BETA7 INTEGRIN BLOCKING ANTIBODIES CCR9, ITGB7, CCR4 ALDH1A1 2410/4885POLB 1181/4885SMN1; SMN2 3224/4885

“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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