SCHEMBL10330769

SCHEMBL10330769

Cc1c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c2c1F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 10/20 0.53
TOP2B Q02880 10/20 0.53
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.46
KCNH2 Q12809 2/20 0.46
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
ALB P02768 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL4747695 0.92 KCNH2 (0.48) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL3391642 0.91 TOP2A (0.50) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL7510943 0.91 TOP2A (0.50) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL8139046 0.91 TOP2A (0.50) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL7607382 0.89 TOP2A (0.53) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL500455 0.89 TOP2A (0.53) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL9096661 0.89 TOP2A (0.53) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL12673591 0.88 ALDH1A1 (0.51) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL4747713 0.88 ALDH1A1 (0.51) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL3982946 0.87 TOP2A (0.48) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222407-B2 Mutilin derivative having heterocyclic aromatic ring carboxylic acid structure in substituent at 14-position KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-07-17 US disclosed
US-8222407-B2 Mutilin derivative having heterocyclic aromatic ring carboxylic acid structure in substituent at 14-position KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-07-17 US disclosed
US-20100197909-A1 MUTILIN DERIVATIVE HAVING HETEROCYCLIC AROMATIC RING CARBOXYLIC ACID STRUCTURE IN SUBTITUENT AT 14-POSITION KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-08-05 US disclosed
US-20100197909-A1 MUTILIN DERIVATIVE HAVING HETEROCYCLIC AROMATIC RING CARBOXYLIC ACID STRUCTURE IN SUBTITUENT AT 14-POSITION KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-08-05 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 (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-20100197909-A1 MUTILIN DERIVATIVE HAVING HETEROCYCLIC AROMATIC RING CARBOXYLIC ACID STRUCTURE IN SUBTITUENT AT 14-POSITION PELP1, MLN, SND1 TOP2A 3897/4885TOP2B 4117/4885KDM4E 3997/4885

“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.