SCHEMBL966936

SCHEMBL966936

CC[C@@H](CO)NC(=O)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
CA12 O43570 1/20 0.51
MMP2 P08253 1/20 0.51
CA14 Q9ULX7 1/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC4 P56524 1/20 0.51
ALDH1A1 P00352 2/20 0.50
OGG1 O15527 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 2/20 0.49
HDAC3 O15379 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
HSP90AA1 P07900 1/20 0.48
KMT2A Q03164 1/20 0.48
TAS1R3 Q7RTX0 3/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL966937 1.00 HTT (0.58) HTTCA12MMP2CA14HDAC6
SCHEMBL970081 0.90 MMP2 (0.58) HTTCA12MMP2CA14HDAC6
SCHEMBL14079707 0.85 HTT (0.60) HTTHDAC6HDAC4ALDH1A1HPGD
SCHEMBL12947869 0.85 HTT (0.60) HTTHDAC6HDAC4ALDH1A1HPGD
SCHEMBL24164011 0.83 HTT (0.58) HTTHDAC6HDAC4ALDH1A1LMNA
SCHEMBL12156455 0.83 HTT (0.58) HTTHDAC6HDAC4ALDH1A1LMNA
SCHEMBL10358851 0.83 HTT (0.57) HTTMMP2HDAC6HDAC4ALDH1A1
SCHEMBL3381007 0.83 HTT (0.57) HTTMMP2HDAC6HDAC4ALDH1A1
SCHEMBL12920013 0.82 HTT (0.61) HTTHDAC6HDAC4ALDH1A1LMNA
SCHEMBL7742685 0.79 MMP2 (0.70) CA12MMP2CA14HDAC6HDAC4

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 HTT 1802/4885CA12 4053/4885MMP2 1096/4885

“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.