Sugi Predict

Sugi Predict / Compounds / Butyl Chloride

Butyl Chloride

Butyl Chloride

SCHEMBL3395113

CCCCCl.O=S(=O)(Cl)Cl

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.69
▸ TDP1 Q9NUW8 2/20 0.69
▸ ALDH1A1 P00352 4/20 0.53
▸ CA1 P00915 5/20 0.38
▸ CA2 P00918 5/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ FAAH O00519 4/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
Pentane SCHEMBL9876670 0.97 TSHR (0.65) TSHRTDP1ALDH1A1CA1CA2
SCHEMBL8549982 0.91 TSHR (0.67) TSHRTDP1ALDH1A1CA1CA2
SCHEMBL27512554 0.88 TSHR (0.72) TSHRTDP1ALDH1A1CA1CA2
SCHEMBL28145940 0.88 TSHR (0.72) TSHRTDP1ALDH1A1CA1CA2
Butyl Chloride SCHEMBL10577557 0.88 TSHR (0.61) TSHRTDP1ALDH1A1CA1CA2
SCHEMBL393458 0.83 — —
Hexane SCHEMBL1937959 0.83 TSHR (0.50) TSHRALDH1A1CA1CA2CA12
Pentane SCHEMBL4992602 0.83 TSHR (0.54) TSHRTDP1ALDH1A1CA1CA2
Butyl Chloride SCHEMBL3694160 0.83 — —
Butyl Chloride SCHEMBL788825 0.83 TSHR (1.00) TSHRTDP1ALDH1A1FAAHLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103597053-A Novel compound and organic electronic device using the same LG CHEMICAL LTD 2014-02-19 — — CN disclosed
EP-2245023-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-12-28 — — EP disclosed
US-8071797-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-12-06 — — US disclosed
EP-2245023-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2010-11-03 — — EP disclosed
WO-2009101022-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 — — WO disclosed
US-20090208449-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-08-20 — — US disclosed
US-5202336-A Lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1993-04-13 — — US disclosed
US-5093340-A Lipoxygenase enzyme inhibitors, antithrombolytic agents BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 — — 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-20090208449-A1 Heterocyclic antiviral compounds EIF2AK2, HCCS, RTF2 TSHR 2453/4885TDP1 2645/4885ALDH1A1 742/4885

“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.