SCHEMBL10176227

SCHEMBL10176227

C=S(C)(=O)c1cccc(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.47
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
ACHE P22303 3/20 0.43
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
EGFR P00533 1/20 0.40
TNNI3K Q59H18 1/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PLA2G1B P04054 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL798087 0.84 KIF11 (0.50) HDAC8HDAC4HDAC2ACHEHDAC6
SCHEMBL8270784 0.83 CA1 (0.57) CA1CA2ALDH1A1L3MBTL1MMP1
SCHEMBL5181504 0.82 LMNA (0.53) HDAC8HDAC4HDAC2ACHEHDAC6
SCHEMBL12238652 0.80 CYP2C19 (0.41) HDAC8HDAC4HDAC2ACHECA1
SCHEMBL24543093 0.79 ACHE (0.44) HDAC8HDAC4HDAC2ACHEHDAC6
SCHEMBL31678755 0.78 ALDH1A1 (0.52) HDAC8HDAC4HDAC2ACHEHDAC6
SCHEMBL2217011 0.78 ALDH1A1 (0.46) HDAC8HDAC4HDAC2ACHEHDAC6
SCHEMBL7427764 0.78 ALDH1A1 (0.52) HDAC8HDAC4HDAC2ACHEHDAC6
SCHEMBL12025007 0.78 CA2 (0.61) HDAC8HDAC4HDAC2CA1CA2
SCHEMBL26569860 0.78 ACHE (0.49) HDAC8HDAC4HDAC2ACHEHDAC6

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-9266878-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD CALISTOGA LLC (US) 2016-02-23 US disclosed
US-20150218154-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2015-08-06 US disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 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-20150218154-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R5, PIK3R4 HDAC8 1592/4885HDAC4 1752/4885HDAC2 852/4885
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 HDAC8 4263/4885HDAC4 3492/4885HDAC2 3062/4885

“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.