SCHEMBL7807672

SCHEMBL7807672

CN[C@@H](Cc1ccccc1)C(=O)OC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.50
ITGB7 P26010 2/20 0.50
CTSS P25774 3/20 0.49
CTSK P43235 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
ACE P12821 1/20 0.47
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KLK5 Q9Y337 1/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 2/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
NPR3 P17342 1/20 0.44
CYP2C19 P33261 1/20 0.44
MLYCD O95822 1/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43

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
SCHEMBL19945249 0.88 ITGA4 (0.61) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL19945248 0.88 ITGA4 (0.61) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL10660301 0.88 CTSS (0.49) ITGA4ITGB7CTSSCTSK
SCHEMBL8150297 0.86 CTSK (0.51) ITGA4ITGB7CTSSCTSKNPR3
SCHEMBL10957814 0.86 ITGA4 (0.54) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL7445836 0.86 P2RX7 (0.39) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL8707158 0.85 CTSS (0.61) CTSSCTSKCTSLCTSBACE
SCHEMBL22060196 0.81 CTSS (0.62) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL11387995 0.80 SLC7A5 (0.51) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL31293782 0.80 MMP1 (0.58) ITGA4ITGB7CTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010036660-A1 Method of producing optically active N-methylamino acids KANEKA CORPORATION (JP) 2001-11-01 US disclosed
EP-1130107-A1 Method of producing optically active N-methylamino acids KANEKA CORPORATION (JP) 2001-09-05 EP disclosed
EP-0390181-B1 Perylenequinone (UCN-1028D) derivatives KYOWA HAKKO KOGYO KK (JP) 1995-05-10 EP disclosed
EP-0635479-A1 Perylene quinones (UCN-1028 D) derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-01-25 EP disclosed
US-5140044-A Antitumor and -carcinogenic agents; protein kinase C inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-08-18 US disclosed
EP-0136720-B1 ENKEPHALIN ANALOGS G.D. Searle & Co. (US) 1989-09-20 EP disclosed
US-4722922-A RENIN INHIBITION G. D. SEARLE & CO. (US) 1988-02-02 US disclosed
US-4603121-A ANALGESICS G. D. SEARLE & CO. (US) 1986-07-29 US disclosed
EP-0136720-A2 Enkephalin analogs G.D. Searle & Co. (US) 1985-04-10 EP disclosed
US-4510085-A Antihypertensive tetrapeptide amides G.D. SEARLE & CO. (US) 1985-04-09 US disclosed
US-4495178-A Enkephalin analogs G. D. SEARLE & CO. (US) 1985-01-22 US disclosed
US-4320051-A Analgesic tripeptide amides AMERICAN HOME PRODUCTS CORPORATION (US) 1982-03-16 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 (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-20010036660-A1 Method of producing optically active N-methylamino acids AMD1, KMO, AADAT ITGA4 3468/4885ITGB7 2343/4885CTSS 3034/4885

“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.