SCHEMBL4202803

SCHEMBL4202803

COC(=O)CCSCC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
HSD17B10 Q99714 2/20 0.42
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA12 O43570 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA2 P00918 2/20 0.37
DGAT1 O75907 1/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 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
SCHEMBL8546618 0.93 HSD17B10 (0.39) TSHRHSD17B10HDAC3HDAC1HDAC2
SCHEMBL1845681 0.84 HTT (0.41) TSHRHSD17B10HDAC3HDAC1HDAC2
SCHEMBL1845437 0.84 TSHR (0.55) TSHRHSD17B10HTTCA12CA14
SCHEMBL5014070 0.80 HDAC1 (0.43) TSHRHSD17B10HDAC3HDAC1HDAC2
SCHEMBL8546872 0.79 MAPT (0.41) TSHRHSD17B10HDAC3HDAC1HDAC2
SCHEMBL23768567 0.79 CYP2C9 (0.40) HSD17B10HDAC3HDAC1HDAC2HDAC8
SCHEMBL882496 0.79 TDP1 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL13062086 0.78 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2904495 0.78 TSHR (0.65) TSHRHSD17B10HTTCA12CA14
SCHEMBL9218327 0.77 HDAC3 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482376-B2 Conjugated complement cascade inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2009-01-27 US disclosed
US-7482376-B2 Conjugated complement cascade inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2009-01-27 US disclosed
US-7482376-B2 Conjugated complement cascade inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2009-01-27 US disclosed
EP-1644046-A2 CONJUGATED COMPLEMENT CASCADE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2006-04-12 EP disclosed
WO-2005002627-A2 CONJUGATED COMPLEMENT CASCADE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-01-13 WO disclosed
US-20050004031-A1 Conjugated complement cascade inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-01-06 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-20050004031-A1 Conjugated complement cascade inhibitors C9, CFH, CFB TSHR 2818/4885HSD17B10 2254/4885HDAC3 3430/4885

“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.