SCHEMBL17651682

SCHEMBL17651682

COc1ccccc1CC1CC(C)(C)CN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.50
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
PKM P14618 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
LMNA P02545 2/20 0.42
USP2 O75604 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.42
MMP2 P08253 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CMA1 P23946 1/20 0.41
MMP1 P03956 2/20 0.41
ADAM17 P78536 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL17661791 0.86 NPSR1 (0.43) PKMMEN1KMT2AMMP2MMP1
SCHEMBL16213232 0.82 NPSR1 (0.48) PKMKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL16212863 0.80 MMP1 (0.50) RAB9APKMKMT2ALMNAUSP2
SCHEMBL17661790 0.80 KMT2A (0.45) MEN1KMT2ALMNAALDH1A1MMP2
SCHEMBL17651690 0.77 FKBP1A (0.43) PKMKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL18221853 0.77 KMT2A (0.47) PKMMEN1KMT2ALMNAALDH1A1
SCHEMBL18221868 0.72 MMP2 (0.47) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL22633433 0.72 NCOA1 (0.72) RAB9ANCOA1NCOA3PKMMEN1
SCHEMBL20362575 0.71 ATM (0.40) MEN1KMT2ATAAR1USP2ALDH1A1
SCHEMBL18221887 0.70 NPSR1 (0.58) RAB9AKMT2ALMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017441-B2 Direct anti-markovnikov addition of acids to alkenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-07-10 US disclosed
US-20160096791-A1 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES UNIV NORTH CAROLINA (US) 2016-04-07 US disclosed
US-20160096791-A1 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES UNIV NORTH CAROLINA (US) 2016-04-07 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-20160096791-A1 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES HAO2, DUOX2, PDK2 RAB9A 3720/4885NCOA1 2688/4885NCOA3 2964/4885
US-10017441-B2 Direct anti-markovnikov addition of acids to alkenes HAO2, DUOX2, PDK2 RAB9A 3720/4885NCOA1 2688/4885NCOA3 2964/4885

“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.