SCHEMBL5231156

SCHEMBL5231156

O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ PLA2G1B P04054 1/20 0.52
▸ ATG4B Q9Y4P1 1/20 0.52
▸ HTT P42858 2/20 0.50
▸ MAPT P10636 3/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ P2RX1 P51575 1/20 0.45
▸ S100A9 P06702 2/20 0.45
▸ PPARG P37231 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL5227907 0.88 ALDH1A1 (0.53) ALDH1A1KMT2AHTTMAPTNPSR1
SCHEMBL16235369 0.75 S100A9 (0.49) ALDH1A1KMT2AHTTMAPTNPSR1
SCHEMBL15761593 0.75 PPARG (0.58) KMT2APLA2G1BATG4BP2RX1PPARG
SCHEMBL16235974 0.74 HTT (0.54) ALDH1A1KMT2AHTTMAPTNPSR1
SCHEMBL15646656 0.74 ALDH1A1 (0.55) ALDH1A1KMT2AHTTMAPTS100A9
SCHEMBL8337846 0.73 ALDH1A1 (0.53) ALDH1A1KMT2AHTTMAPTNPSR1
SCHEMBL2372280 0.72 ALDH1A1 (0.57) ALDH1A1KMT2AHTTMAPTNPSR1
SCHEMBL22718045 0.72 ALDH1A1 (0.58) ALDH1A1KMT2AHTTMAPTNPSR1
SCHEMBL21190909 0.72 ALDH1A1 (0.72) ALDH1A1KMT2AHTTMAPTNPSR1
SCHEMBL4382195 0.71 FLT1 (0.51) ALDH1A1KMT2AHTT

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 1243/4885PLA2G1B 2858/4885

“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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