Sugi Predict

Sugi Predict / Compounds / SCHEMBL15980928

SCHEMBL15980928

SCHEMBL15980928

CC(C)(C)OC(=O)C(c1ccccc1)C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.67
▸ ATM Q13315 1/20 0.67
▸ KMT2A Q03164 4/20 0.44
▸ AAK1 Q2M2I8 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ABCB1 P08183 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ ITGB7 P26010 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL7589576 0.83 L3MBTL1 (0.69) L3MBTL1ATMKMT2AMEN1NPSR1
SCHEMBL12681987 0.83 ATM (0.69) L3MBTL1ATMKMT2AALDH1A1MEN1
SCHEMBL14513577 0.83 ATM (0.69) L3MBTL1ATMKMT2AALDH1A1MEN1
SCHEMBL10223955 0.83 ATM (0.69) L3MBTL1ATMKMT2AALDH1A1MEN1
SCHEMBL3009229 0.83 ATM (0.47) L3MBTL1ATMKMT2AAAK1CTSS
SCHEMBL27446062 0.83 ATM (0.47) L3MBTL1ATMKMT2AAAK1CTSS
SCHEMBL27298046 0.82 ATM (0.46) L3MBTL1ATMKMT2AAAK1CTSS
SCHEMBL28842867 0.81 L3MBTL1 (0.67) L3MBTL1ATMKMT2AMAPTNPSR1
SCHEMBL705806 0.81 L3MBTL1 (0.67) L3MBTL1ATMKMT2ANPSR1LMNA
SCHEMBL17965782 0.81 SRC (0.50) L3MBTL1ATMKMT2AAAK1CTSS

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-20170049765-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMMAVE THERAPEUTICS SA (CH) 2017-02-23 — — US disclosed
US-20170049765-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMMAVE THERAPEUTICS SA (CH) 2017-02-23 — — US disclosed
US-9453037-B2 Methylphenidate-prodrugs, processes of making and using the same KEMPHARM, INC (US) 2016-09-27 — — US disclosed
US-20150266911-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMMAVE THERAPEUTICS SA (CH) 2015-09-24 — — US disclosed
US-9079928-B2 Methylphenidate-oxoacid conjugates, processes of making and using the same KEMPHARM, INC. (US) 2015-07-14 — — US disclosed
US-20140243291-A1 METHYLPHENIDATE-OXOACID CONJUGATES, PROCESSES OF MAKING AND USING THE SAME COMMAVE THERAPEUTICS SA (CH) 2014-08-28 — — 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 (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-20140243291-A1 METHYLPHENIDATE-OXOACID CONJUGATES, PROCESSES OF MAKING AND USING THE SAME COMT, PNMT, SLC6A3 L3MBTL1 445/4885ATM 1037/4885KMT2A 223/4885
US-20170049765-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMT, TPMT, PNMT L3MBTL1 432/4885ATM 808/4885KMT2A 213/4885
US-20150266911-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMT, TPMT, PNMT L3MBTL1 432/4885ATM 808/4885KMT2A 213/4885

“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.