SCHEMBL256740

SCHEMBL256740

CCOc1cc(I)ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 4/20 0.49
CYP3A4 P08684 1/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CREBBP Q92793 1/20 0.43
NEK2 P51955 1/20 0.43
RXRA P19793 1/20 0.43
HNF4A P41235 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
GLA P06280 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL12121589 0.87 TP53 (0.50) TSHRKDM4ETP53MEN1KMT2A
SCHEMBL20522189 0.86 TSHR (0.56) TSHRHSD17B10KDM4ECYP3A4LMNA
SCHEMBL344393 0.83 ALDH1A1 (0.42) TSHRHSD17B10KDM4ECYP3A4RXRA
SCHEMBL256739 0.83 TDP1 (0.62) TSHRHSD17B10KDM4ECYP3A4LMNA
SCHEMBL4000105 0.83 CA12 (0.49) TSHRHSD17B10KDM4ECYP3A4LMNA
SCHEMBL25788123 0.83 PTPN11 (0.54) TSHRTP53ALDH1A1HPGD
SCHEMBL25788131 0.83 PTPN11 (0.54) TSHRTP53ALDH1A1HPGD
SCHEMBL25788129 0.83 PTPN11 (0.54) TSHRTP53ALDH1A1HPGD
SCHEMBL25788126 0.83 PTPN11 (0.54) TSHRTP53ALDH1A1HPGD
SCHEMBL4844621 0.82 KDM4E (0.70) TSHRHSD17B10KDM4ECYP3A4LMNA

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-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
EP-2612848-A1 CYCLIC AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-07-10 EP disclosed
WO-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 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 (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-20130217692-A1 CYCLIC AMIDE DERIVATIVE HDAC10, H1-10, H1-0 TSHR 914/4885HSD17B10 146/4885KDM4E 2413/4885

“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.