SCHEMBL1803227

SCHEMBL1803227

O=C(O)c1cccc([S])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA6 P23280 1/20 0.60
CA9 Q16790 1/20 0.60
HSD17B10 Q99714 3/20 0.56
HPGD P15428 2/20 0.56
KMO O15229 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
DAO P14920 1/20 0.55
TSHR P16473 1/20 0.55
NAPRT Q6XQN6 1/20 0.55
UNG P13051 1/20 0.54
FOLH1 Q04609 1/20 0.52
AKR1C3 P42330 1/20 0.52
TP53 P04637 1/20 0.50
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
KDM4E B2RXH2 2/20 0.47

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
Isophthalic Acid SCHEMBL28462260 0.84 CA12 (0.71) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL22462 0.84 CA12 (0.71) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL28756611 0.84 CA12 (0.71) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL147366 0.84 CA12 (0.71) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL2512374 0.84 CA12 (0.71) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL20500514 0.84 CA12 (0.71) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL23045695 0.81 CA12 (0.68) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL3835208 0.81 CA12 (0.68) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL10897679 0.81 CA12 (0.68) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL25202015 0.81 CA12 (0.68) CA12CA1CA2CA6CA9

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-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US disclosed
US-5360711-A COLORFASTNESS, RESISTANCE TO DISCOLORATION FUJI PHOTO FILM CO., LTD. (JP) 1994-11-01 US disclosed
US-3992377-A 3-Thio-substituted cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1976-11-16 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 CA12 1243/4885CA1 798/4885CA2 1279/4885

“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.