Sugi Predict

Sugi Predict / Compounds / SCHEMBL3349200

SCHEMBL3349200

SCHEMBL3349200

CC(N)(C(=O)O)C(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.55
▸ ERCC5 P28715 1/20 0.45
▸ FEN1 P39748 1/20 0.45
▸ JAK2 O60674 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ P2RX7 Q99572 2/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TMEM97 Q5BJF2 2/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL4878726 0.86 ALDH1A1 (0.52) TSHRERCC5FEN1CYP2C9ALDH1A1
SCHEMBL10001176 0.80 TSHR (0.59) TSHRERCC5FEN1JAK2TAS1R3
SCHEMBL3345521 0.75 CES2 (0.53) ERCC5FEN1ALDH1A1KMT2AMEN1
SCHEMBL3349920 0.75 NPC1 (0.42) TSHRTAS1R3TAS1R1TAS1R2CYP2C9
SCHEMBL11652748 0.74 TSHR (0.61) TSHRERCC5FEN1JAK2TAS1R3
SCHEMBL3349740 0.74 HPGD (0.50) TSHRALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL22468835 0.74 MAPT (0.48) TSHRALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL3345476 0.74 HPGD (0.44) ERCC5FEN1ALDH1A1L3MBTL1KMT2A
SCHEMBL2369282 0.73 TSHR (0.59) TSHRERCC5FEN1JAK2TAS1R3
SCHEMBL97298 0.72 TSHR (1.00) TSHRERCC5FEN1JAK2TAS1R3

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-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS LASSOIE MARIE-AGNES 2010-04-29 — — US disclosed
US-7638630-B2 Very Late Antigen-4 dependent inflammatory disease; asthma, allergic rhinitis, sinusitis, conjunctivitis, food allergy, inflammatory skin disorders, autoimmune disorders, or atherosclerosis, inflammatory skin disorder; methyl 3-[2-(2,6-dichlorophenyl)-6-quinolinyl]-2-hydroxy-2-propenoate UCB PHARMA S.A. (BE) 2009-12-29 — — US disclosed
US-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors UCB, S.A. (BE) 2008-03-13 — — 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 (2 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-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors VCAM1, HRH4, LTA4H TSHR 3741/4885ERCC5 3905/4885FEN1 4647/4885
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS SCN4A, NECTIN4, VPS4B TSHR 4180/4885ERCC5 4453/4885FEN1 4794/4885

“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.