SCHEMBL4351752

SCHEMBL4351752

CC1(C)C2CCC1(CS(=O)(=O)ON1C(=O)C3C4CC(C([O])C4[O])C3C1=O)C(=O)C2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.46
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 2/20 0.41

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
SCHEMBL3830397 0.90 KMT2A (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1F2
SCHEMBL382804 0.87 KMT2A (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1F2
SCHEMBL3823149 0.84 KMT2A (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1F2
SCHEMBL111905 0.84 KMT2A (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1F2
SCHEMBL4356042 0.82 SMN1; SMN2 (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1F2
SCHEMBL16519683 0.81 ALDH1A1 (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1F2
SCHEMBL14564571 0.81 ALDH1A1 (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1F2
SCHEMBL135682 0.80 KMT2A (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1F2
SCHEMBL3076355 0.80 KMT2A (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1F2
SCHEMBL8907321 0.80 KMT2A (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1F2

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
US-20090035702-A1 PROCESS FOR PRODUCING COMPOUND HAVING ACID-LABILE GROUP KYOWA HAKKO CHEMICAL CO., LTD. (JP) 2009-02-05 US disclosed
US-7358030-B2 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2008-04-15 US disclosed
US-20060177763-A1 Method for producing compound having acid-labile group KYOWA HAKKO CHEMICAL CO., LTD. (JP) 2006-08-10 US disclosed
EP-1661918-A1 METHOD FOR PRODUCING COMPOUND HAVING ACID-LABILE GROUP Kyowa Hakko Chemical Co., Ltd. (JP) 2006-05-31 EP disclosed
US-20060074262-A1 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2006-04-06 US disclosed
US-7015363-B2 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2006-03-21 US disclosed
US-20040181097-A1 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2004-09-16 US disclosed
EP-1415968-A1 PROCESS FOR PRODUCING ETHER COMPOUND Kyowa Yuka Co., Ltd. (JP) 2004-05-06 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 (3 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-20090035702-A1 PROCESS FOR PRODUCING COMPOUND HAVING ACID-LABILE GROUP AGL, HACL2, ARL1 KMT2A 2950/4885MEN1 2540/4885SMN1; SMN2 4661/4885
US-20060074262-A1 Process for producing ether compound AGL, ARL1, CYP2C8 KMT2A 568/4885MEN1 4205/4885SMN1; SMN2 4511/4885
US-20040181097-A1 Process for producing ether compound CYP2E1, ARL1, MRPL21 KMT2A 731/4885MEN1 4199/4885SMN1; SMN2 4394/4885

“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.