SCHEMBL18268216

SCHEMBL18268216

CC(C)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIMP3 P35625 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ CA1 P00915 3/20 0.55
▸ CA2 P00918 3/20 0.55
▸ LMNA P02545 3/20 0.54
▸ KMT2A Q03164 7/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HPGD P15428 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ PRMT1 Q99873 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA9 Q16790 1/20 0.50

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
SCHEMBL11859460 0.87 CA1 (0.70) TIMP3ALDH1A1CA1CA2LMNA
SCHEMBL8761539 0.85 TDP1 (0.46) TIMP3ALDH1A1CA1CA2LMNA
SCHEMBL18270522 0.83 TIMP3 (0.60) TIMP3ALDH1A1CA1CA2LMNA
SCHEMBL23786313 0.81 NPC1 (0.55) ALDH1A1LMNAKMT2AMEN1MAPK1
SCHEMBL18268217 0.80 ALDH1A1 (0.46) ALDH1A1CA1CA2LMNAKMT2A
SCHEMBL12630758 0.80 MEN1 (0.57) TIMP3ALDH1A1CA1CA2LMNA
SCHEMBL2586732 0.80 CA1 (0.77) TIMP3ALDH1A1CA1CA2LMNA
SCHEMBL23182350 0.80 NPC1 (0.53) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL11856940 0.79 KMT2A (0.68) TIMP3ALDH1A1CA1CA2LMNA
SCHEMBL14679075 0.79 PRMT1 (0.77) TIMP3CA1CA2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160347789-A1 Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures BASF SE (DE) 2016-12-01 — — 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-20160347789-A1 Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures ANTXR2, FCGR3B, IGLV6-57 TIMP3 4242/4885ALDH1A1 1699/4885CA1 1961/4885

“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.

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