SCHEMBL4252585

SCHEMBL4252585

CCC(=O)N1CC[C@@H](O)[C@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 4/20 0.33
CHRNB2 P17787 3/20 0.32
CHRNA3 P32297 3/20 0.32
CHRNA4 P43681 3/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
BLM P54132 1/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA7 P36544 2/20 0.32
MAPT P10636 1/20 0.31
RIPK1 Q13546 1/20 0.31
ACE P12821 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL2544915 1.00 TSHR (0.38) TSHRMEN1HTTKMT2AEPHX2
SCHEMBL4254625 1.00 TSHR (0.38) TSHRMEN1HTTKMT2AEPHX2
SCHEMBL4251812 1.00 TSHR (0.38) TSHRMEN1HTTKMT2AEPHX2
SCHEMBL4252620 1.00 TSHR (0.38) TSHRMEN1HTTKMT2AEPHX2
SCHEMBL4251810 1.00 TSHR (0.38) TSHRMEN1HTTKMT2AEPHX2
SCHEMBL4258808 0.85 CHRNB2 (0.36) MEN1KMT2AEPHX2CHRNB2CHRNA3
SCHEMBL4259086 0.85 CHRNB2 (0.36) MEN1KMT2AEPHX2CHRNB2CHRNA3
SCHEMBL4248760 0.85 CHRNB2 (0.36) MEN1KMT2AEPHX2CHRNB2CHRNA3
SCHEMBL4248756 0.85 CHRNB2 (0.36) MEN1KMT2AEPHX2CHRNB2CHRNA3
SCHEMBL4256319 0.85 CHRNB2 (0.36) MEN1KMT2AEPHX2CHRNB2CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111632095-A Antibacterial vagina tightening and contracting composition and application thereof 上海赫依美容美体有限公司 2020-09-08 CN disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 US disclosed
US-8338404-B2 Composition and method for reducing allergen KYOWA HAKKO BIO CO., LTD. (JP) 2012-12-25 US disclosed
US-20090069403-A1 COMPOSITION AND METHOD FOR REDUCING ALLERGEN KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-03-12 US disclosed
US-20080188546-A1 Preventive or therapeutic agents for decubitus TAKEDA TOSHIAKI 2008-08-07 US disclosed
US-20080102042-A1 Dentifrices containing N-acyl derivative of hydroxyproline; periodontal disease KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-05-01 US disclosed
US-20070293559-A1 Orally Administered Agent For Preventing Or Improving Dry Station Of Skin KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-12-20 US disclosed
CN-101027050-A Oral preparation for preventing or improving dry skin KYOWA HAKKO KOGYO KK (JP) 2007-08-29 CN disclosed
EP-1795191-A1 ORAL PHARMACEUTICAL FOR DRY SKIN PREVENTION OR REMEDY KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-06-13 EP disclosed
US-20060034781-A1 PERORAL PREPARATION FOR PREVENTION OR TREATMENT OF ATOPIC DERMATATIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-02-16 US disclosed
US-20060035957-A1 Preventive or remedy for bedsore KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-02-16 US disclosed
EP-1559425-A1 PERORAL PREPARATION FOR PREVENTION OF OR TREATMENT FOR ATOPIC DERMATITIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-08-03 EP disclosed
EP-1547594-A1 PREVENTIVE OR REMEDY FOR BEDSORE KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-29 EP disclosed
US-20030185864-A1 Preventives or remedies for atopic dermatitis KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-02 US disclosed
EP-1304323-A1 PREVENTIVES OR REMEDIES FOR ATOPIC DERMATITIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-04-23 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 TSHR 475/4885MEN1 1465/4885HTT 1368/4885
US-20090069403-A1 COMPOSITION AND METHOD FOR REDUCING ALLERGEN TSLP, CARM1, CMA1 TSHR 3658/4885MEN1 4341/4885HTT 21/4885

“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.