SCHEMBL5227907

SCHEMBL5227907

O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cnc(Cl)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ KMT2A Q03164 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ AVPR2 P30518 1/20 0.45
▸ GPR27 Q9NS67 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ S100A9 P06702 1/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ AR P10275 1/20 0.44

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
SCHEMBL5231156 0.88 ALDH1A1 (0.53) ALDH1A1KMT2AHTTLMNAPOLB
SCHEMBL8337846 0.77 ALDH1A1 (0.53) ALDH1A1KMT2AHTTLMNAPOLB
SCHEMBL16235974 0.76 HTT (0.54) ALDH1A1KMT2AHTTLMNAMAPT
SCHEMBL8765383 0.75 CYP3A4 (0.61) KMT2AMEN1ALOX15MAPK1MAPT
SCHEMBL4372094 0.75 FLT1 (0.65) ALDH1A1KMT2AHTTAVPR2GPR27
SCHEMBL4382195 0.75 FLT1 (0.51) ALDH1A1KMT2AHTTGPR27
SCHEMBL16235369 0.74 S100A9 (0.49) ALDH1A1KMT2AHTTLMNAMAPT
SCHEMBL14601685 0.74 MEN1 (0.65) ALDH1A1KMT2AMEN1ALOX15MAPK1
SCHEMBL9996884 0.73 HSD17B10 (0.53) ALDH1A1KMT2AHTTPOLBMEN1
SCHEMBL7571036 0.73 CES1 (0.73) ALDH1A1KMT2AHTTMEN1ALOX15

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
EP-1519932-B1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LTD (GB) 2007-10-03 — — EP claimed
US-20050215548-A1 Capable of binding to the oncoprotein HDM2 and modulating the HDM2-dependent regulation of the tumour suppressor p53 and/or E2F transcription factors; e.g. 5-Chloro-4-nitro-thiophene-2-sulfonic acid (4-nitrophenyl)-amide CYCLACEL LIMITED (GB) 2005-09-29 — — 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-20050215548-A1 Capable of binding to the oncoprotein HDM2 and modulating the HDM2-dependent regulation of the tumour suppressor p53 and/or E2F transcription factors; e.g. 5-Chloro-4-nitro-thiophene-2-sulfonic acid (4-nitrophenyl)-amide CCNL2, TP53, MDM2 ALDH1A1 1973/4885KMT2A 1243/4885HTT 748/4885

“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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