SCHEMBL9082912

SCHEMBL9082912

CC(C)(C)C(=O)c1ccccc1S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.56
▸ HDAC8 Q9BY41 2/20 0.56
▸ ELANE P08246 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALOX15 P16050 2/20 0.37
▸ MDM4 O15151 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA5A P35218 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA5B Q9Y2D0 1/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HDAC3 O15379 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
SCHEMBL15445468 0.84 ELANE (0.47) MAPTHDAC8ELANEALDH1A1KDM4E
SCHEMBL12083366 0.80 KDM4E (0.54) MAPTALDH1A1KDM4EMAPK1KMT2A
SCHEMBL16722809 0.79 ALDH1A1 (0.47) MAPTELANEALDH1A1KDM4EMAPK1
SCHEMBL14215786 0.78 MAPT (0.56) MAPTHDAC8ALDH1A1KDM4EMAPK1
SCHEMBL26054307 0.78 NPC1 (0.45) ALDH1A1KMT2A
SCHEMBL5058742 0.77 ALDH1A1 (0.45) MAPTHDAC8ELANEALDH1A1KDM4E
SCHEMBL15214044 0.77 GABRA1 (0.45) MAPTELANEALDH1A1KMT2ACA1
SCHEMBL5079740 0.76 PDK2 (0.42) MAPTELANEALDH1A1KDM4EMAPK1
SCHEMBL7949878 0.76 HPGD (0.47) ELANEALDH1A1KDM4EKMT2ATP53
SCHEMBL5847579 0.76 ALDH1A1 (0.64) MAPTHDAC8ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995061-B2 SPAK kinase inhibitors as neuroprotective agents UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2021-05-04 — — US disclosed
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 — — US disclosed
US-5541045-A MAGENTA COUPLERS FOR PHOTOGRAPHIC FILMS IN SILVER HALIDE EMULSIONS AND MULTILAYER ELEMENTS FUJI PHOTO FILM CO., LTD. (JP) 1996-07-30 — — US disclosed
US-5538842-A COLORFAST PHOTOGRAPHIC FILM FUJI PHOTO FILM CO., LTD. (JP) 1996-07-23 — — 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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 MAPT 4286/4885HDAC8 911/4885ELANE 4386/4885
US-10995061-B2 SPAK kinase inhibitors as neuroprotective agents SBK1, DAPK2, SPAST MAPT 833/4885HDAC8 367/4885ELANE 4456/4885

“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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