SCHEMBL16166177

SCHEMBL16166177

CCCCCCOC(=O)NC(=N)c1ccc(NCC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.44
NPC1 O15118 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
CASP1 P29466 1/20 0.44
TSHR P16473 2/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GMNN O75496 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX1 P07099 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAOA P21397 1/20 0.41
CNR1 P21554 1/20 0.41
DRD4 P21917 1/20 0.41
ACHE P22303 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
SCHEMBL15764679 0.89 RAB9A (0.47) RAB9ANPC1SMN1; SMN2CASP1TSHR
SCHEMBL17537035 0.88 TSHR (0.47) RAB9ANPC1SMN1; SMN2CASP1TSHR
SCHEMBL10017868 0.86 RAB9A (0.47) RAB9ANPC1SMN1; SMN2CASP1TSHR
SCHEMBL15481191 0.85 EPHX1 (0.49) RAB9ANPC1SMN1; SMN2CASP1TSHR
SCHEMBL6824699 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL12368087 0.82 L3MBTL1 (0.48) RAB9ANPC1SMN1; SMN2CASP1TSHR
SCHEMBL7061424 0.81 NPC1 (0.63) RAB9ANPC1SMN1; SMN2CASP1TSHR
SCHEMBL7057167 0.81 NPC1 (0.63) RAB9ANPC1SMN1; SMN2CASP1TSHR
SCHEMBL25054040 0.79 NPC1 (0.47) RAB9ANPC1SMN1; SMN2CASP1LMNA
SCHEMBL7985754 0.79 EPHX1 (0.46) RAB9ANPC1SMN1; SMN2CASP1TSHR

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
US-20160060248-A1 SYNTHESIS OF DABIGATRAN USV PRIVATE LIMITED (IN) 2016-03-03 US claimed
EP-2978750-A2 \"SYNTHESIS OF DABIGATRAN\ USV Limited (IN) 2016-02-03 EP claimed
WO-2014167577-A2 \"SYNTHESIS OF DABIGATRAN\ USV LIMITED (IN) 2014-10-16 WO claimed
EP-2978750-B1 \"SYNTHESIS OF DABIGATRAN\ USV PRIVATE LTD (IN) 2020-03-04 EP disclosed
US-9688657-B2 Synthesis of dabigatran USV PRIVATE LIMITED (IN) 2017-06-27 US disclosed
US-20160060248-A1 SYNTHESIS OF DABIGATRAN USV PRIVATE LIMITED (IN) 2016-03-03 US disclosed
EP-2978750-A2 \"SYNTHESIS OF DABIGATRAN\ USV Limited (IN) 2016-02-03 EP disclosed
WO-2014167577-A2 \"SYNTHESIS OF DABIGATRAN\ USV LIMITED (IN) 2014-10-16 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-20160060248-A1 SYNTHESIS OF DABIGATRAN ESD, F2, PROC RAB9A 3293/4885NPC1 4734/4885SMN1; SMN2 4012/4885

“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.