SCHEMBL468899

SCHEMBL468899

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.55
GRIA1 P42261 1/20 0.55
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA9 Q16790 1/20 0.51
SLC7A5 Q01650 1/20 0.50
FOLH1 Q04609 1/20 0.49
NPY4R P50391 1/20 0.48
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
HPGDS O60760 2/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
TAAR1 Q96RJ0 2/20 0.46
SLC6A2 P23975 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL6518708 1.00 ACE (0.55) ACEGRIA1CA12CA1CA9
SCHEMBL30493752 0.94 ACE (0.57) ACEGRIA1NPY4RPTPN2PTPN1
SCHEMBL13563436 0.94 ACE (0.57) ACEGRIA1NPY4RPTPN2PTPN1
SCHEMBL12313515 0.90 ESR1 (0.54) ACEGRIA1CA1SLC7A5FOLH1
SCHEMBL5490272 0.90 ESR1 (0.54) ACEGRIA1CA1SLC7A5FOLH1
SCHEMBL26778812 0.90 ESR1 (0.54) ACEGRIA1CA1SLC7A5FOLH1
SCHEMBL13563442 0.89 ACE (0.60) ACE
SCHEMBL30493794 0.89 ACE (0.56) ACEGRIA1NPY4RPTPN2PTPN1
SCHEMBL13563439 0.89 ACE (0.60) ACE
SCHEMBL13563434 0.89 ACE (0.60) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022106630-A1 STABLE FORMULATIONS COMPRISING PIPERACILLIN AND/OR TAZOBACTAM XELLIA PHARMACEUTICALS APS (DK) 2022-05-27 WO claimed
WO-2022106611-A1 NOVEL COMPOSITIONS OF BETA-LACTAM COMPOUNDS XELLIA PHARMACEUTICALS APS (DK) 2022-05-27 WO claimed
US-10828243-B2 Methods for treating skin AVON PRODUCTS, INC. (US) 2020-11-10 US claimed
US-20180353407-A1 METHODS FOR TREATING SKIN AVON PRODUCTS, INC. 2018-12-13 US claimed
EP-3236982-A1 PEPTIDES AND THEIR USE IN THE TREATMENT OF SKIN Avon Products, Inc. (US) 2017-11-01 EP claimed
EP-3236980-A1 PEPTIDES AND THEIR USE IN THE TREATMENT OF SKIN Avon Products, Inc. (US) 2017-11-01 EP claimed
EP-3236981-A1 PEPTIDES AND THEIR USE IN THE TREATMENT OF SKIN Avon Products, Inc. (US) 2017-11-01 EP claimed
US-20170304178-A1 Peptides and Their Use in the Treatment of Skin AVON PRODUCTS, INC. 2017-10-26 US claimed
US-20170281507-A1 Peptides and Their Use in the Treatment of Skin AVON PRODUCTS, INC. 2017-10-05 US claimed
US-20170281508-A1 Peptides and Their Use in the Treatment of Skin AVON PRODUCTS, INC. 2017-10-05 US claimed
US-20140179688-A1 PLOD-2 Modulators and Their Use in the Treatment of Skin AVON PRODUCTS, INC. (US) 2014-06-26 US claimed
US-20140179643-A1 PLOD-2 Stimulators and Their Use in the Treatment of Skin AVON PRODUCTS, INC. (US) 2014-06-26 US claimed
WO-2014099109-A2 PLOD-2 MODULATORS AND THEIR USE IN THE TREATMENT OF SKIN AVON PRODUCTS, INC. (US) 2014-06-26 WO claimed
US-RE44017-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use YU RUEY J (US) 2013-02-19 US claimed
EP-0728469-B1 An endermic liniment SHISEIDO CO LTD (JP) 2003-01-15 EP claimed
US-5767158-A FOR BLEACHING SKIN SHISEIDO CO., LTD. (JP) 1998-06-16 US claimed
US-5340734-A In vitro biosynthesis the melanins in presence of a substrate consisting of tyrosine binding single amino acid, a dipeptide or an oligopeptide BIOSOURCE GENETICS CORPORATION (US) 1994-08-23 US claimed
US-3948970-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-04-06 US claimed
US-3932486-A GASTRIC SECRETION INHIBITORS, ANTISPASMODIC, ANTIASTHMATIC, HYPOTENSIVE THE UPJOHN COMPANY (US) 1976-01-13 US claimed
US-3931285-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-01-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20170304178-A1 Peptides and Their Use in the Treatment of Skin CUTA, IGFBP4, VIP ACE 3884/4885GRIA1 4397/4885CA12 4861/4885
US-20170281507-A1 Peptides and Their Use in the Treatment of Skin CUTA, NGLY1, COL14A1 ACE 2583/4885GRIA1 4857/4885CA12 4630/4885
US-20170281508-A1 Peptides and Their Use in the Treatment of Skin CUTA, NGLY1, SPPL2B ACE 2578/4885GRIA1 4860/4885CA12 4762/4885
US-20140179688-A1 PLOD-2 Modulators and Their Use in the Treatment of Skin PLOD3, PLOD2, LPO ACE 3990/4885GRIA1 4509/4885CA12 4825/4885

“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.