SCHEMBL948723

SCHEMBL948723

CC(C)(C)c1ccc(CCOc2ccc(CCNCCC(=O)OC(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR35 Q9HC97 1/20 0.48
KMT2A Q03164 4/20 0.47
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MITF O75030 1/20 0.46
LTA4H P09960 2/20 0.45
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.43
PPARA Q07869 2/20 0.42
PPARD Q03181 1/20 0.42
POLB P06746 2/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
S1PR1 P21453 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL947280 0.94 KDM4E (0.49) LMNASMN1; SMN2GPR35KMT2AGAA
SCHEMBL946304 0.92 NR4A2 (0.49) LMNASMN1; SMN2GPR35KMT2AGAA
SCHEMBL950346 0.90 KCNH2 (0.46) LMNASMN1; SMN2KMT2AGAAKDM4E
SCHEMBL947349 0.89 KMT2A (0.48) LMNAKMT2AKDM4ELTA4HMEN1
SCHEMBL948568 0.88 LTA4H (0.56) KMT2AGAALTA4HMEN1S1PR1
SCHEMBL946342 0.87 LTA4H (0.46) GPR35KMT2AGAALTA4HMEN1
SCHEMBL947992 0.87 LTA4H (0.50) LMNASMN1; SMN2KMT2AKDM4ELTA4H
Trifluoroacetic Acid SCHEMBL948722 0.85 S1PR1 (0.53) LMNASMN1; SMN2GPR35KMT2AGAA
SCHEMBL946370 0.85 LTA4H (0.48) KMT2ALTA4HMEN1ALDH1A1NPC1
SCHEMBL950790 0.85 KDM4E (0.45) LMNASMN1; SMN2KMT2AGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 EP disclosed
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-8791159-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-07-29 US disclosed
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD (JP) 2011-01-27 US disclosed
US-7825109-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-11-02 US disclosed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 US disclosed
EP-1661881-A2 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 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-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 LMNA 2786/4885SMN1; SMN2 3076/4885GPR35 67/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 LMNA 3761/4885SMN1; SMN2 3472/4885GPR35 115/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 LMNA 3761/4885SMN1; SMN2 3472/4885GPR35 115/4885

“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.