SCHEMBL7990830

SCHEMBL7990830

CC(C)(C)c1ccc(C(=O)NS(C)(=O)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.66
HDAC3 O15379 5/20 0.54
HDAC8 Q9BY41 5/20 0.54
HDAC6 Q9UBN7 5/20 0.54
HDAC11 Q96DB2 3/20 0.54
EPHX2 P34913 4/20 0.54
NR1H4 Q96RI1 2/20 0.54
POLB P06746 1/20 0.53
SCN9A Q15858 1/20 0.53
PTPN1 P18031 1/20 0.52
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
P4HTM Q9NXG6 2/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL13228671 0.81 POLB (0.59) HDAC1HDAC3HDAC8HDAC6HDAC11
SCHEMBL7984984 0.81 HDAC1 (0.61) HDAC1HDAC3HDAC8HDAC6HDAC11
SCHEMBL19254542 0.81 HDAC8 (0.57) HDAC3HDAC8HDAC6HDAC11NR1H4
SCHEMBL20371007 0.80 HDAC1 (0.59) HDAC1HDAC3HDAC8HDAC6HDAC11
SCHEMBL22503299 0.80 HDAC1 (0.59) HDAC1HDAC3HDAC8HDAC6HDAC11
SCHEMBL279954 0.80 HDAC1 (0.63) HDAC1HDAC6POLBSCN9APTPN1
SCHEMBL5696343 0.79 HDAC1 (1.00) HDAC1HDAC3HDAC8HDAC6HDAC11
SCHEMBL17940179 0.79 SCN9A (0.62) SCN9APTPN1
SCHEMBL8337823 0.79 THRA (0.50) HDAC1HDAC3HDAC8HDAC6EPHX2
SCHEMBL9913954 0.78 KMT2A (0.54) EPHX2NR1H4SCN9APTPN1CA2

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-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-20180194799-A1 BETUIN DERIVATIVES FOR PREVENTING OR TREATING HIV INFECTIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-07-12 US disclosed
US-6331628-B1 REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-18 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-20180194799-A1 BETUIN DERIVATIVES FOR PREVENTING OR TREATING HIV INFECTIONS BET1, PGGT1B, RABGGTB HDAC1 32/4885HDAC3 138/4885HDAC8 111/4885
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, HBG1 HDAC1 3232/4885HDAC3 3501/4885HDAC8 3373/4885

“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.