SCHEMBL5124369

SCHEMBL5124369

CCOC(=O)[C@H](Cc1cc(Cl)c(N)c(Cl)c1)NC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.41
ESR1 P03372 1/20 0.37
KCNH2 Q12809 1/20 0.37
CPB2 Q96IY4 1/20 0.36
PTGS2 P35354 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
PPID Q08752 1/20 0.35

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
SCHEMBL5117148 0.81 PPID (0.50) TACR1ESR1KCNH2TP53POLB
SCHEMBL5125017 0.79 NOS2 (0.42) TACR1
SCHEMBL13013230 0.78 TP53 (0.52) TACR1TP53TSHRPOLB
SCHEMBL5118162 0.76 NLRP3 (0.47) TACR1TP53POLB
SCHEMBL7276676 0.75 ALDH1A1 (0.46) ESR1SMN1; SMN2POLB
SCHEMBL3310634 0.74 TACR1 (0.44) TACR1TP53POLBPPID
SCHEMBL3316803 0.74 TACR1 (0.44) TACR1TP53POLBPPID
Hydrochloric Acid SCHEMBL5117084 0.74 PRSS1 (0.41) TSHR
SCHEMBL8731461 0.73 THRB (0.51) PTGS2TSHRSMN1; SMN2POLB
SCHEMBL31689496 0.72 CTSL (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2959918-B1 ANTI-MALIGNANT TUMOR AGENT COMPOSITION J PHARMA CO LTD (JP) 2019-05-22 EP disclosed
US-10172835-B2 Anticancer agent composition J-PHARMA CO., LTD. (JP) 2019-01-08 US disclosed
US-20160279103-A1 AN ANTICANCER AGENT COMPOSITION J-PHARMA CO., LTD. (JP) 2016-09-29 US disclosed
EP-2959918-A1 ANTI-MALIGNANT TUMOR AGENT COMPOSITION J-Pharma Co., Ltd. (JP) 2015-12-30 EP disclosed
EP-1481965-B1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS ENDO HITOSHI (JP) 2015-07-29 EP disclosed
US-7345068-B2 Aromatic amino acid derivatives and medicinal compositions Endou, Hitoshi (JP) 2008-03-18 US disclosed
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions HITOSHI ENDOU (JP) 2005-06-02 US disclosed
EP-1481965-A1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS Endo, Hitoshi (JP) 2004-12-01 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 (3 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-20160279103-A1 AN ANTICANCER AGENT COMPOSITION TUBB1, TUBA1A, TUBA1C TACR1 4322/4885ESR1 2008/4885KCNH2 4880/4885
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions SLC7A1, SLC1A5, SLC7A5 TACR1 1485/4885ESR1 2959/4885KCNH2 2669/4885
US-10172835-B2 Anticancer agent composition TOP1, TUBB1, TUBA1A TACR1 4329/4885ESR1 2214/4885KCNH2 4882/4885

“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.