SCHEMBL7990742

SCHEMBL7990742

CCCCCCCCCCCCN[C@@H](CCC(=O)O)C(=O)O.[NaH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.59
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
GPR84 Q9NQS5 7/20 0.47
PPARG P37231 7/20 0.47
PPARD Q03181 7/20 0.47
PPARA Q07869 7/20 0.47
HDAC11 Q96DB2 5/20 0.47
TSHR P16473 4/20 0.47
PTPN1 P18031 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TLR2 O60603 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
FABP4 P15090 2/20 0.47
FFAR4 Q5NUL3 2/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
MEN1 O00255 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL28032298 1.00 NOD1 (0.59) NOD1ITGB3ITGA2BGPR84PPARG
SCHEMBL1838471 1.00 NOD1 (0.59) NOD1ITGB3ITGA2BGPR84PPARG
SCHEMBL27384071 1.00 NOD1 (0.59) NOD1ITGB3ITGA2BGPR84PPARG
SCHEMBL27975875 1.00 NOD1 (0.59) NOD1ITGB3ITGA2BGPR84PPARG
SCHEMBL28830122 1.00 NOD1 (0.59) NOD1ITGB3ITGA2BGPR84PPARG
SCHEMBL27489837 1.00 NOD1 (0.59) NOD1ITGB3ITGA2BGPR84PPARG
SCHEMBL25244619 0.98 NOD1 (0.60) NOD1ITGB3ITGA2BGPR84PPARG
SCHEMBL2721132 0.98 NOD1 (0.60) NOD1ITGB3ITGA2BGPR84PPARG
SCHEMBL2721131 0.98 NOD1 (0.60) NOD1ITGB3ITGA2BGPR84PPARG
SCHEMBL8383011 0.98 NOD1 (0.60) NOD1ITGB3ITGA2BGPR84PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018185788-A1 OPHTHALMIC SOLUTION OF BIMATOPROST SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2018-10-11 WO claimed
US-11241443-B2 Ophthalmic solution of bimatoprost SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2022-02-08 US disclosed
WO-2018185788-A1 OPHTHALMIC SOLUTION OF BIMATOPROST SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2018-10-11 WO disclosed
US-6291634-B1 USED AS CHELATING AGENT, A PIGMENT DISPERSANT, A SURFACE-TREATING AGENT FOR A POWDER, TOILETRIES AND A RUST-PROOFING AGENT AJINOMOTO CO., INC. (JP) 2001-09-18 US disclosed
EP-0980862-A1 Polyamino acid derivatives Ajinomoto Co., Inc. (JP) 2000-02-23 EP disclosed
US-5981450-A SURFACTANT MIXTURE CONSISTS OF MONOGLYCERIDE SULFATE OR MONOGLYCERIDE ETHER SULFATES AND AMINO ACID DERIVATIVE SELECTED FROM WHEAT OR SOYA-DERIVED VEGETABLE PROTEIN HYDROLYZATE AND CONDENSATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-11-09 US disclosed
EP-0276151-B1 Dissolved composition of [benzo-1,2,4-thiadiazine]-1,1-dioxide for hair germination and hair growth promotion. SHISEIDO COMPANY LIMITED (JP) 1993-08-04 EP disclosed
EP-0276151-A2 Dissolved composition of [benzo-1,2,4-thiadiazine]-1,1-dioxide for hair germination and hair growth promotion. SHISEIDO COMPANY LIMITED (JP) 1988-07-27 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 (1 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-11241443-B2 Ophthalmic solution of bimatoprost SLC38A7, SLC7A5, SSTR3 NOD1 4754/4885ITGB3 2560/4885ITGA2B 3838/4885

“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.