Valine

Valine

SCHEMBL5651474

CC(C)[C@H](N)C(=O)O.O=Cc1cccc2[nH]ccc12

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.40
CYP2A6 P11509 1/20 0.39
IMPDH2 P12268 1/20 0.39
HPGDS O60760 1/20 0.37
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35
TUBB8 Q3ZCM7 2/20 0.35
TUBA3E Q6PEY2 2/20 0.35
TUBA1A Q71U36 2/20 0.35
TUBA1C Q9BQE3 2/20 0.35
TUBB6 Q9BUF5 2/20 0.35
TUBB2B Q9BVA1 2/20 0.35
TUBB1 Q9H4B7 2/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL97761 0.80 CYP2A6 (0.57) CYP2A6IMPDH2TUBB4ATUBBTUBA3C
SCHEMBL28168668 0.78 CYP2A6 (0.55) CYP2A6IMPDH2TUBB4ATUBBTUBA3C
Iodoform SCHEMBL28508578 0.77 CYP2A6 (0.50) CYP2A6IMPDH2TUBB4ATUBBTUBA3C
Indole SCHEMBL2262674 0.75 TRPA1 (0.53) SLC7A5KDM4EMAPTAPAF1POLB
Indole SCHEMBL22750244 0.75 TRPA1 (0.53) SLC7A5KDM4EMAPTAPAF1POLB
Salicyladehyde SCHEMBL5555583 0.73 TRIM24 (0.58) SLC7A5MAPTMEN1LMNATSHR
Hydrochloric Acid SCHEMBL30249045 0.72 HTR1B (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Valine SCHEMBL4155382 0.70 SLC7A5 (0.54) SLC7A5KDM4EMAPTMEN1LMNA
SCHEMBL7971229 0.70 PARP1 (0.46) CYP2A6IMPDH2TUBB4ATUBBTUBA3C
Carbazole SCHEMBL170807 0.69 SLC7A5 (0.52) SLC7A5KDM4EMAPTAPAF1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230118-B2 Process for the preparation of ropinirole URQUIMA S.A. (ES) 2007-06-12 US disclosed
US-20070032540-A1 Process for the preparation of ropinirole URGUIMA S.A. (ES) 2007-02-08 US disclosed
EP-1673340-A1 PROCESS FOR THE PREPARATION OF ROPINIROLE Urquima S.A. (ES) 2006-06-28 EP disclosed
WO-2005040115-A1 PROCESS FOR THE PREPARATION OF ROPINIROLE URQUIMA S.A. (ES) 2005-05-06 WO 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-20070032540-A1 Process for the preparation of ropinirole PRLHR, COMT, DRD4 SLC7A5 2002/4885CYP2A6 599/4885IMPDH2 138/4885

“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.