SCHEMBL970102

SCHEMBL970102

O=C(c1ccc(Br)cc1)N1CCC[C@H]1CO

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 3/20 0.55
POLB P06746 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HPGD P15428 2/20 0.50
PDK2 Q15119 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
SPHK1 Q9NYA1 3/20 0.48
ROCK2 O75116 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
GAA P10253 1/20 0.46
VNN1 O95497 1/20 0.46

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
SCHEMBL966970 1.00 SPHK2 (0.55) SPHK2POLBL3MBTL1HPGDPDK2
SCHEMBL966968 1.00 SPHK2 (0.55) SPHK2POLBL3MBTL1HPGDPDK2
SCHEMBL970042 0.87 HPGD (0.49) SPHK2POLBL3MBTL1HPGDCHRNB2
SCHEMBL968549 0.87 HPGD (0.49) SPHK2POLBL3MBTL1HPGDCHRNB2
SCHEMBL968551 0.87 HPGD (0.49) SPHK2POLBL3MBTL1HPGDCHRNB2
SCHEMBL970043 0.87 HPGD (0.49) SPHK2POLBL3MBTL1HPGDCHRNB2
SCHEMBL10194843 0.85 SPHK2 (0.55) SPHK2POLBL3MBTL1HPGDPDK2
SCHEMBL17584872 0.85 SPHK2 (0.55) SPHK2POLBL3MBTL1HPGDPDK2
SCHEMBL4931440 0.84 SPHK2 (0.64) SPHK2POLBL3MBTL1PDK2ROCK2
SCHEMBL11447207 0.84 SPHK2 (0.64) SPHK2POLBL3MBTL1PDK2ROCK2

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-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 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-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 SPHK2 4285/4885POLB 2813/4885L3MBTL1 17/4885

“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.