SCHEMBL1779398

SCHEMBL1779398

CCCCC(=O)NC(C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 2/20 0.56
IL1RN P18510 1/20 0.56
ERAP1 Q9NZ08 1/20 0.56
LNPEP Q9UIQ6 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ASAH1 Q13510 1/20 0.46
ACER2 Q5QJU3 1/20 0.46
HDAC3 O15379 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CAPN1 P07384 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
SCHEMBL1779393 1.00 ERAP2 (0.56) ERAP2IL1RNERAP1LNPEPSMN1; SMN2
SCHEMBL28270209 0.96 ERAP2 (0.55) ERAP2IL1RNERAP1LNPEPSMN1; SMN2
SCHEMBL28270210 0.96 ERAP2 (0.55) ERAP2IL1RNERAP1LNPEPSMN1; SMN2
Hydrochloric Acid SCHEMBL7325792 0.91 CTSB (0.51) ERAP2IL1RNERAP1LNPEPCTSB
SCHEMBL13044203 0.90 IL1RN (0.56) ERAP2IL1RNERAP1SMN1; SMN2CTSB
SCHEMBL28252260 0.87 ALDH1A1 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1ASAH1
SCHEMBL19388178 0.87 IL1RN (0.54) ERAP2IL1RNERAP1SMN1; SMN2CTSB
SCHEMBL28252259 0.87 ALDH1A1 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1ASAH1
SCHEMBL3564467 0.87 KMT2A (0.47) ERAP2IL1RNERAP1LNPEPPOLB
SCHEMBL11913993 0.86 IL1RN (0.58) ERAP2IL1RNERAP1CTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943794-B2 Processes for the preparation of intermediates of valsartan RANBAXY LABORATORIES LIMITED (IN) 2011-05-17 US disclosed
EP-2090567-A2 Processes for the preparation of intermediates of valsartan RANBAXY LABORATORIES, LTD. (IN) 2009-08-19 EP disclosed
US-20090203921-A1 PROCESSES FOR THE PREPARATION OF INTERMEDIATES OF VALSARTAN RANBAXY LABORATORIES LIMITED (IN) 2009-08-13 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-20090203921-A1 PROCESSES FOR THE PREPARATION OF INTERMEDIATES OF VALSARTAN REN, AGT, ACE ERAP2 343/4885IL1RN 1355/4885ERAP1 224/4885

“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.