SCHEMBL15058237

SCHEMBL15058237

Cc1cc(C)c(I)c(C(=O)O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.48
POLB P06746 1/20 0.39
LMNA P02545 3/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
TPMT P51580 1/20 0.34
CYP1A2 P05177 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
AKR1C3 P42330 1/20 0.33
HTT P42858 1/20 0.33
LCK P06239 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL6568275 0.72 MAPK1 (0.44) SMN1; SMN2ALDH1A1MAPK1POLBLMNA
SCHEMBL22169259 0.72 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPK1POLBLMNA
SCHEMBL31336711 0.71 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MAPK1POLBLMNA
SCHEMBL1541111 0.69 KDM4E (0.46) ALDH1A1LMNAKDM4EMAPTTSHR
SCHEMBL1795934 0.69 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPK1LMNARECQL
SCHEMBL4909009 0.69 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPK1LMNAMAPT
SCHEMBL31518690 0.69 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MAPK1KDM4EMAPT
SCHEMBL25131969 0.69 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1MAPTTPMT
SCHEMBL26841823 0.69 KDM4E (0.37) SMN1; SMN2ALDH1A1MAPK1POLBKDM4E
SCHEMBL2373944 0.68 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MAPK1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074808-B Therapeutic compounds as orexin-1 receptor inhibitors 希四克斯探索有限公司 2021-03-02 CN disclosed
EP-2794593-B1 SPIRO AMINIC COMPOUNDS AS OREXIN ANTAGONISTS Rottapharm Biotech Srl (IT) 2017-02-01 EP disclosed
US-9493438-B2 4,4-difluoro-piperidine-compounds ROTTAPHARM S.R.L. (IT) 2016-11-15 US disclosed
EP-2820007-B1 4,4-DIFLUORO-PIPERIDINE-COMPOUNDS Rottapharm Biotech Srl (IT) 2016-04-20 EP disclosed
US-9062033-B2 Chemical compounds ROTTAPHARM BIOTECH S.R.L. (IT) 2015-06-23 US disclosed
US-20150051226-A1 4,4-DIFLUORO-PIPERIDINE-COMPOUNDS ROTTAPHARM S.P.A. (IT) 2015-02-19 US disclosed
EP-2820007-A1 4,4-DIFLUORO-PIPERIDINE-COMPOUNDS Rottapharm Biotech S.r.l. (IT) 2015-01-07 EP disclosed
US-20140357653-A1 CHEMICAL COMPOUNDS ROTTAPHARM BIOTECH S.R.L. (IT) 2014-12-04 US disclosed
EP-2794593-A1 CHEMICAL COMPOUNDS Rottapharm Biotech S.r.l. (IT) 2014-10-29 EP disclosed
WO-2013127913-A1 4,4-DIFLUORO-PIPERIDINE-COMPOUNDS ROTTAPHARM S.P.A. (IT) 2013-09-06 WO disclosed
WO-2013092893-A1 CHEMICAL COMPOUNDS ROTTAPHARM SPA (IT) 2013-06-27 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-20150051226-A1 4,4-DIFLUORO-PIPERIDINE-COMPOUNDS SLCO4C1, PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SMN1; SMN2 2505/4885ALDH1A1 1187/4885MAPK1 2728/4885
US-20140357653-A1 CHEMICAL COMPOUNDS HCRTR2, HCRTR1, NPY1R SMN1; SMN2 2688/4885ALDH1A1 1588/4885MAPK1 943/4885

“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.