SCHEMBL4477962

SCHEMBL4477962

CC(C)S(=O)(=O)c1ccccc1N1CC[C@@H](C(=O)O)[C@@H]1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AR P10275 1/20 0.38
PTK2 Q05397 3/20 0.35
P2RX1 P51575 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX4 Q99571 1/20 0.34
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 1/20 0.32
NOTUM Q6P988 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR6 P50406 1/20 0.32
ACHE P22303 1/20 0.31
HTR7 P34969 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL4483776 1.00 MEN1 (0.38) MEN1KMT2AARPTK2P2RX1
SCHEMBL4483774 0.72 ACHE (0.35) MEN1KMT2APTK2POLBACHE
SCHEMBL4477955 0.72 ACHE (0.35) MEN1KMT2APTK2POLBACHE
SCHEMBL21334004 0.66 KMT2A (0.43) KMT2AALDH1A1
SCHEMBL20594755 0.66 KMT2A (0.43) KMT2AALDH1A1
SCHEMBL21334003 0.66 KMT2A (0.43) KMT2AALDH1A1
SCHEMBL3595828 0.66 KMT2A (0.43) KMT2AALDH1A1
SCHEMBL20594448 0.66 KMT2A (0.43) KMT2AALDH1A1
SCHEMBL20594447 0.66 KMT2A (0.43) KMT2AALDH1A1
Hydrochloric Acid SCHEMBL2917269 0.65 TSHR (0.35) PTK2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 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-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 MEN1 2580/4885KMT2A 860/4885AR 4606/4885

“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.