SCHEMBL4416366

SCHEMBL4416366

CC(C)(C)S(=O)(=O)CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
SIGMAR1 Q99720 3/20 0.32
ALDH1A1 P00352 2/20 0.32
ATM Q13315 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
HPGD P15428 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
ADAM17 P78536 1/20 0.30

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
SCHEMBL18624751 0.98 CYP1A2 (0.34) CYP1A2ALDH1A1ATM
SCHEMBL12251549 0.88 INPP5A (0.31)
SCHEMBL18643153 0.79
SCHEMBL10147821 0.78 CNR2 (0.40)
SCHEMBL10171707 0.78 GRM2 (0.35) CYP1A2ALDH1A1ATMHPGDMMP1
SCHEMBL14666073 0.77
SCHEMBL20776796 0.74 CYP1A2 (0.39) CYP1A2SIGMAR1
SCHEMBL92880 0.73 CYP1A2 (0.37) CYP1A2SIGMAR1ALDH1A1ATMADH1B
SCHEMBL10171143 0.72
SCHEMBL19808143 0.72 ALDH1A1 (0.39) CYP1A2SIGMAR1ALDH1A1ATMADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090304631-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION 2009-12-10 US claimed
US-12032290-B2 Actinic ray-sensitive or radiation-sensitive resin composition, resist film, pattern forming method, and method for manufacturing electronic device FUJIFILM CORPORATION (JP) 2024-07-09 US disclosed
US-20170073334-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-16 US disclosed
EP-1797111-B1 ACYLSULFONAMIDE COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2011-06-22 EP disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
EP-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP 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 (4 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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R CYP1A2 1506/4885SIGMAR1 75/4885ALDH1A1 3735/4885
US-20170073334-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB CYP1A2 1829/4885SIGMAR1 2271/4885ALDH1A1 4070/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CYP1A2 1378/4885SIGMAR1 77/4885ALDH1A1 4013/4885
US-20090304631-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PREP, CTSC, PEPD CYP1A2 2977/4885SIGMAR1 3742/4885ALDH1A1 2163/4885

“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.