SCHEMBL5089008

SCHEMBL5089008

CCCCC(=O)Nc1cccc(C(=O)OCC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.71
RAB9A P51151 5/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
NPC1 O15118 4/20 0.70
CYP1A2 P05177 2/20 0.70
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
HPGD P15428 1/20 0.70
ALDH1A1 P00352 4/20 0.70
KMT2A Q03164 3/20 0.70
TSHR P16473 1/20 0.70
NPSR1 Q6W5P4 2/20 0.70
POLB P06746 2/20 0.68
MEN1 O00255 2/20 0.68
PKM P14618 1/20 0.60
MAPK1 P28482 3/20 0.58
LMNA P02545 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57

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
SCHEMBL7575475 0.89 ALDH1A1 (0.70) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL8468277 0.86 KMT2A (0.65) MAPTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL14266467 0.86 KMT2A (0.77) MAPTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL7102593 0.84 MAPT (0.83) MAPTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL21998673 0.84 ALDH1A1 (0.67) RAB9ASMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL21998681 0.84 ALDH1A1 (0.67) RAB9ASMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL21998663 0.84 ALDH1A1 (0.67) RAB9ASMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL23932815 0.83 KMT2A (0.73) MAPTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL6689527 0.83 KMT2A (0.73) MAPTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL6408672 0.83 KMT2A (0.73) MAPTRAB9ASMN1; SMN2NPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 US disclosed
US-7417052-B2 Phenylene derivative having tetrazole ring or thiazolidinedione ring SANKYO COMPANY, LIMITED (JP) 2008-08-26 US disclosed
US-20070190071-A1 9-Substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
US-20070105846-A1 Phenylene derivative having tetrazole ring or thiazolidinedione ring RENASCIENCE CO., LTD (JP) 2007-05-10 US disclosed
EP-1679310-A1 PHENYLENE DERIVATIVE HAVING TETRAZOLE RING OR THIAZOLIDINEDIONE RING Sankyo Company, Limited (JP) 2006-07-12 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 (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-20070190071-A1 9-Substituted 8-oxoadenine compound IFNAR1, IL5, IFNG MAPT 4844/4885RAB9A 1703/4885SMN1; SMN2 2719/4885
US-20070105846-A1 Phenylene derivative having tetrazole ring or thiazolidinedione ring JAK2, ABL1, CYP3A5 MAPT 2539/4885RAB9A 4306/4885SMN1; SMN2 4533/4885

“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.