SCHEMBL6677443

SCHEMBL6677443

[O-][S+](c1ccccc1)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
SIGMAR1 Q99720 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
AKR1C3 P42330 1/20 0.36
AR P10275 1/20 0.36
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL8698034 0.85 SIGMAR1 (0.31) KMT2AMEN1SIGMAR1
SCHEMBL20195364 0.81 KCNH2 (0.35) TSHRGAASIGMAR1ALDH1A1CYP2C9
SCHEMBL6673681 0.81 ALDH1A1 (0.39) LMNAPOLBKMT2AGAAMEN1
SCHEMBL27392966 0.81 PIK3CA (0.39) LMNAPOLBKMT2AGAAMEN1
SCHEMBL1259047 0.79 KCNH2 (0.38) LMNAKMT2AMEN1SIGMAR1ALDH1A1
SCHEMBL20919908 0.79 KCNH2 (0.38) LMNAKMT2AMEN1SIGMAR1ALDH1A1
SCHEMBL14492990 0.79 MAPT (0.39) LMNAPKMTSHRPOLBKMT2A
SCHEMBL5244482 0.78 ALDH1A1 (0.44) LMNATSHRPOLBKMT2AGAA
SCHEMBL3779703 0.78 RECQL (0.31)
SCHEMBL20979464 0.78 KMO (0.55) LMNATSHRPOLBKMT2AGAA

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-20170334865-A1 DDR2 INHIBITORS AND METHODS OF USING WASHINGTON UNIVERSITY (US) 2017-11-23 US claimed
WO-2016070024-A1 DDR2 INHIBITORS AND METHODS OF USING WASHINGTON UNIVERSITY (US) 2016-05-06 WO claimed
CN-107056849-B Preparation method of α -2, 6-dideoxy glucose-O-glucoside protected by total acetyl 华东师范大学 2020-04-10 CN disclosed
CN-107056849-A A kind of full acetyl group protects the preparation method of the dideoxy glucose O glucosides of α 2,6 华东师范大学 2017-08-18 CN disclosed
EP-1066813-B1 Dental adhesive composition SHOFU KK (JP) 2004-10-06 EP disclosed
US-6583197-B1 Excellent sustained release of fluorine; free radical polymerizable unsaturated monomer having an acid group, acid-reactive fluoroaluminsilicate glass filler, water, solvent KABUSHIKI KAISHA SHOFU (JP) 2003-06-24 US disclosed
EP-1066813-A2 Dental adhesive composition KABUSHIKI KAISHA SHOFU (JP) 2001-01-10 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 (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-20170334865-A1 DDR2 INHIBITORS AND METHODS OF USING DDR2, DDR1, DDRGK1 LMNA 792/4885PKM 3940/4885TSHR 1270/4885

“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.