SCHEMBL1300807

SCHEMBL1300807

Cc1c(C(=O)Oc2ccccc2)c(OCc2ccccc2)c2c(c1C(F)(F)F)CNC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
POLB P06746 1/20 0.34
MAOB P27338 1/20 0.34
PPARG P37231 1/20 0.34
HPD P32754 1/20 0.34

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
SCHEMBL1300573 0.87 PTPN1 (0.40) PTPN1TSHRUSP2ALDH1A1HSD17B10
SCHEMBL12284133 0.87 FAAH (0.36) TSHRLMNA
SCHEMBL1300118 0.86 PTPN1 (0.40) PTPN1TSHRUSP2ALDH1A1HSD17B10
SCHEMBL1300319 0.85 PTPN1 (0.40) PTPN1TSHRUSP2ALDH1A1HSD17B10
SCHEMBL12108773 0.84 PTPN1 (0.38) PTPN1TSHRUSP2ALDH1A1HSD17B10
SCHEMBL1299606 0.83 PTPN1 (0.38) PTPN1TSHRUSP2ALDH1A1HSD17B10
SCHEMBL12109175 0.83 PTPN1 (0.36) PTPN1TSHRUSP2ALDH1A1HSD17B10
SCHEMBL1299093 0.82 PTPN1 (0.36) PTPN1ALDH1A1LMNAHPGDPDK1
SCHEMBL1299609 0.82 CHRM2 (0.38) PTPN1TSHRUSP2ALDH1A1HSD17B10
SCHEMBL12109182 0.81 KDM4E (0.36) PTPN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107179-A1 Polycyclic Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2017-04-20 US disclosed
EP-2552890-B1 POLYCYCLIC TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-01-04 EP disclosed
US-9371283-B2 Polycyclic tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-06-21 US disclosed
EP-2552890-A1 POLYCYCLIC TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2013-02-06 EP disclosed
US-20110269714-A1 Polycyclic Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2011-11-03 US disclosed
WO-2011123536-A1 POLYCYCLIC TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2011-10-06 WO 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-20170107179-A1 Polycyclic Tetracycline Compounds TET1, TUBA1C, TUBB PTPN1 470/4885TSHR 1136/4885USP2 4454/4885
US-20110269714-A1 Polycyclic Tetracycline Compounds TET1, TUBA1C, TUBB PTPN1 470/4885TSHR 1136/4885USP2 4454/4885

“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.