SCHEMBL7012446

SCHEMBL7012446

COC(=O)CCSc1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ SDCBP O00560 1/20 0.54
▸ SDC2 P34741 1/20 0.54
▸ HPGD P15428 1/20 0.53
▸ L3MBTL1 Q9Y468 4/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ PKM P14618 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPT P10636 1/20 0.45

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
SCHEMBL12471416 0.90 HPGD (0.54) HSP90AA1KCNH2SDCBPSDC2HPGD
SCHEMBL3195872 0.87 HDAC1 (0.51) HSP90AA1KCNH2SDCBPSDC2HPGD
SCHEMBL10609588 0.84 HSP90AA1 (0.51) HSP90AA1KCNH2HPGDKMT2AATM
SCHEMBL28198919 0.84 KDM4E (0.60) HPGDL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL7651344 0.83 HSP90AA1 (0.51) HSP90AA1KCNH2SDCBPSDC2HPGD
SCHEMBL28198924 0.83 HTT (0.63) SDCBPSDC2HPGDL3MBTL1KMT2A
SCHEMBL22614919 0.83 HTT (0.48) HPGDL3MBTL1KMT2ACYP1A2ATM
SCHEMBL7073415 0.83 MTNR1A (0.62) L3MBTL1KMT2AATMALDH1A1LMNA
SCHEMBL28897181 0.82 CYP1A2 (0.59) HPGDL3MBTL1CYP1A2ATMALDH1A1
SCHEMBL2378422 0.82 SMN1; SMN2 (0.59) HPGDKMT2AMEN1CYP1A2ALDH1A1

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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 — — US disclosed
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 — — US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 — — US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 — — EP disclosed
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 — — 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 (2 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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 HSP90AA1 246/4885KCNH2 4749/4885SDCBP 4315/4885
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH HSP90AA1 4038/4885KCNH2 164/4885SDCBP 3953/4885

“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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