Sugi Predict

Sugi Predict / Compounds / SCHEMBL2260049

SCHEMBL2260049

SCHEMBL2260049

N#Cc1ccc(CCCCC=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ KCNJ1 P48048 2/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ LOXL2 Q9Y4K0 2/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA4 P22748 1/20 0.41
▸ DAO P14920 2/20 0.41
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CYP19A1 P11511 3/20 0.38
▸ SAE1 Q9UBE0 1/20 0.38

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
SCHEMBL9864668 0.98 TSHR (0.56) TSHRHSD17B10KCNJ1KCNH2LOXL2
SCHEMBL4864848 0.94 TSHR (0.50) TSHRHSD17B10KCNJ1KCNH2LOXL2
SCHEMBL20212772 0.93 TSHR (0.64) TSHRHSD17B10KCNJ1KCNH2LOXL2
SCHEMBL2246626 0.86 KCNJ1 (0.48) TSHRHSD17B10KCNJ1KCNH2LOXL2
SCHEMBL10569888 0.84 TSHR (0.68) TSHRHSD17B10KCNJ1KCNH2LOXL2
SCHEMBL10569117 0.82 TSHR (0.71) TSHRHSD17B10KCNJ1KCNH2LOXL2
SCHEMBL16582463 0.82 TSHR (0.71) TSHRHSD17B10KCNJ1KCNH2LOXL2
SCHEMBL16582531 0.82 TSHR (0.71) TSHRHSD17B10KCNJ1KCNH2LOXL2
SCHEMBL9457792 0.81 TSHR (0.53) TSHRHSD17B10KCNJ1KCNH2LOXL2
SCHEMBL8455707 0.80 MAOA (0.44) TSHRHSD17B10KCNJ1KCNH2LOXL2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957497-B1 PROCESSES FOR PREPARING INTERMEDIATES OF PEMETREXED SICOR INC (US) 2015-09-30 — — EP disclosed
US-8362245-B2 Processes for preparing intermediates of pemetrexed SICOR INC. (US) 2013-01-29 — — US disclosed
US-20110263851-A1 PROCESSES FOR PREPARING INTERMEDIATES OF PEMETREXED SICOR INC. (US) 2011-10-27 — — US disclosed
US-7994180-B2 prepared, preferably in high purity, via a straight-forward process without the need for the purification of intermediates SICOR INC. (US) 2011-08-09 — — US disclosed
US-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 — — US disclosed
US-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-10 — — US disclosed
US-20090149444-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-06-11 — — US disclosed
US-7514475-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-04-07 — — US disclosed
US-7504437-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 — — US disclosed
US-7504393-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 — — US disclosed
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 — — US disclosed
EP-1695962-A1 CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING Sankyo Company, Limited (JP) 2006-08-30 — — EP disclosed
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants SANKYO COMPANY, LIMITED (JP) 2004-04-08 — — US disclosed
EP-1362844-A1 BENZYLAMINE ANALOGUE Sankyo Company, Limited (JP) 2003-11-19 — — EP disclosed
US-20030092754-A1 External preparation for skin diseases containing nitroimidazole SHOEI CO., LTD. (JP) 2003-05-15 — — US disclosed
EP-1206937-A1 NITROIMIDAZOLE EXTERNAL PREPARATIONS FOR DERMATOSIS SHOEI CO., LTD. (JP) 2002-05-22 — — EP disclosed
US-5646183-A Phenyl amidine alkanoic acids useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1997-07-08 — — US disclosed
US-5612355-A Phenyl amidine lactones useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1997-03-18 — — US disclosed
US-5504106-A Phenyl amidine alkanoic acids and lactones useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1996-04-02 — — US disclosed
WO-1994000424-A1 PHENYL AMIDINE ALKANOIC ACIDS AND LACTONES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-06 — — 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 (6 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-20110263851-A1 PROCESSES FOR PREPARING INTERMEDIATES OF PEMETREXED DPYD, TYMP, TYMS TSHR 4129/4885HSD17B10 2496/4885KCNJ1 3342/4885
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 TSHR 427/4885HSD17B10 1115/4885KCNJ1 2616/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 TSHR 1284/4885HSD17B10 158/4885KCNJ1 596/4885
US-20030092754-A1 External preparation for skin diseases containing nitroimidazole IL4I1, NSD1, CUTA TSHR 4183/4885HSD17B10 1707/4885KCNJ1 433/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 TSHR 89/4885HSD17B10 392/4885KCNJ1 786/4885
US-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP CBR3, CNR1, C3AR1 TSHR 131/4885HSD17B10 1299/4885KCNJ1 1898/4885

“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.