SCHEMBL5286742

SCHEMBL5286742

CN1C(=O)OC[C@@H]1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 9/20 0.43
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL5281444 1.00 IDH1 (0.43) IDH1ALDH1A1ATMCHRNB2CHRNB4
SCHEMBL2615701 1.00 IDH1 (0.43) IDH1ALDH1A1ATMCHRNB2CHRNB4
SCHEMBL3652984 0.82 CHRNA7 (0.43) ALDH1A1CHRNA7
SCHEMBL6903965 0.82 CYP19A1 (0.39)
SCHEMBL3652982 0.82 CHRNA7 (0.43) ALDH1A1CHRNA7
SCHEMBL3654550 0.82 CHRNA7 (0.43) ALDH1A1CHRNA7
SCHEMBL16181385 0.80 CYP19A1 (0.45) ALDH1A1
SCHEMBL2235912 0.80 DDB1 (0.38)
SCHEMBL2235902 0.80 DDB1 (0.38)
SCHEMBL6904113 0.80 KDM4E (0.58) IDH1ALDH1A1CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
EP-3464297-B1 PROCESS FOR PREPARATION OF ERIBULIN AND INTERMEDIATES THEREOF Dr Reddys Laboratories Ltd (IN) 2023-10-25 EP disclosed
US-11059799-B2 Process for preparation of eribulin and intermediates thereof DR. REDDY'S LABORATORIES LIMITED. (IN) 2021-07-13 US disclosed
US-20210163509-A1 Intermediates useful in the preparation of halichondrin compounds and methods for preparing the same BEIJING TIENYI LUFU PHARMATECH CO. LTD. (CN) 2021-06-03 US disclosed
US-10836776-B2 Process for preparation of eribulin and intermediates thereof DR. REDDY'S LABORATORIES LIMITED (IN) 2020-11-17 US disclosed
US-20190276470-A1 PROCESS FOR PREPARATION OF ERIBULIN AND INTERMEDIATES THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2019-09-12 US disclosed
US-20190177291-A1 PROCESS FOR PREPARATION OF ERIBULIN AND INTERMEDIATES THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2019-06-13 US disclosed
WO-2019055913-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2019-03-21 WO disclosed
WO-2017203459-A1 PROCESS FOR PREPARATION OF ERIBULIN AND INTERMEDIATES THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2017-11-30 WO disclosed
US-20170204065-A1 PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF ALCON INC. (CH) 2017-07-20 US disclosed
US-20170137384-A1 PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF ALCON INC. (CH) 2017-05-18 US disclosed
US-9643927-B1 Process for the preparation of kinase inhibitors and intermediates thereof AERIE PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
WO-2013151161-A1 NOVEL COMPOUND, METHOD FOR PRODUCING SAME AND ANTITUMOR AGENT 学校法人東京理科大学 (JP) 2013-10-10 WO disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US disclosed
US-5391819-A Process of making chiral 2-aryl-1,4-butanediamine derivatives as useful neurokinin-A antagonists MERCK & CO., INC. (US) 1995-02-21 US 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 (8 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-11059799-B2 Process for preparation of eribulin and intermediates thereof ERLIN1, ERLIN2, MAN1B1 IDH1 1148/4885ALDH1A1 1325/4885ATM 3916/4885
US-10836776-B2 Process for preparation of eribulin and intermediates thereof ERLIN1, ERLIN2, DHPS IDH1 802/4885ALDH1A1 1861/4885ATM 3999/4885
US-20170137384-A1 PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF MAP3K1, MAP3K6, MAP3K7 IDH1 440/4885ALDH1A1 2948/4885ATM 375/4885
US-20170204065-A1 PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF MAP3K1, MAP3K6, MAP3K7 IDH1 440/4885ALDH1A1 2948/4885ATM 375/4885
US-20190177291-A1 PROCESS FOR PREPARATION OF ERIBULIN AND INTERMEDIATES THEREOF ERLIN1, ERLIN2, MAN1B1 IDH1 1148/4885ALDH1A1 1325/4885ATM 3916/4885
US-20210163509-A1 Intermediates useful in the preparation of halichondrin compounds and methods for preparing the same ERLIN1, ERLIN2, MAN1B1 IDH1 691/4885ALDH1A1 1342/4885ATM 4281/4885
US-20190276470-A1 PROCESS FOR PREPARATION OF ERIBULIN AND INTERMEDIATES THEREOF ERLIN1, ERLIN2, DHPS IDH1 802/4885ALDH1A1 1861/4885ATM 3999/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 IDH1 4439/4885ALDH1A1 2972/4885ATM 4711/4885

“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.