Thiobenzoic Acid

Thiobenzoic Acid

SCHEMBL579975

CCCCCCCCCC(=O)C(N)(C(=O)CCCCCCCCC)C(=O)CCCCCCCCC.OC(=S)c1ccccc1.OC(=S)c1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.53
CES1 P23141 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NAAA Q02083 1/20 0.44
HSD17B3 P37058 5/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
Benzoic Acid SCHEMBL20537031 0.88 CES2 (0.55) CES2CES1L3MBTL1LMNAMAPT
Phenol SCHEMBL9194901 0.83 HSD17B3 (0.54) CES2CES1MAPTHSD17B3
Thiobenzoic Acid SCHEMBL28030107 0.80 CES2 (0.53) CES2CES1NAAA
Bromide SCHEMBL28199726 0.79 CES2 (0.49) CES2CES1MAPT
Thiobenzoic Acid SCHEMBL28627503 0.79 CES2 (0.58) CES2CES1TDP1HDAC3HDAC4
Bicarbonate SCHEMBL28167556 0.79 FAAH (0.57) CES2CES1TDP1HDAC11
SCHEMBL2573096 0.79 FAAH (0.61) CES2CES1TDP1HDAC11
SCHEMBL638951 0.79 FAAH (0.61) CES2CES1TDP1HDAC11
Acetic Acid SCHEMBL28247876 0.78 CES2 (0.48) CES2CES1MAPT
Salicylic Acid SCHEMBL21629462 0.77 ALDH1A1 (0.50) CES2CES1MAPTNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626335-B2 Process for removing metals from hydrocarbons PETROLIAM NASIONAL BERHAD (PETRONAS) (MY) 2020-04-21 US disclosed
EP-2417225-B1 PROCESS FOR REMOVING MERCURY FROM HYDROCARBONS PETROLIAM NASIONAL BERHAD PETRONAS (MY) 2020-03-11 EP disclosed
US-20120121485-A1 PROCESS FOR REMOVING METALS FROM HYDROCARBONS PETROLIAM NASIONAL BERHAD (PETRONAS) (MY) 2012-05-17 US disclosed
EP-2417225-A2 PROCESS FOR REMOVING METALS FROM HYDROCARBONS Petroliam Nasional Berhad (PETRONAS) (MY) 2012-02-15 EP disclosed
WO-2010116165-A2 PROCESS FOR REMOVING METALS FROM HYDROCARBONS PETROLIAM NASIONAL BERHAD (PETRONAS) (MY) 2010-10-14 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 (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-10626335-B2 Process for removing metals from hydrocarbons SHH, AHR, HTT CES2 3588/4885CES1 4827/4885L3MBTL1 435/4885
US-20120121485-A1 PROCESS FOR REMOVING METALS FROM HYDROCARBONS SHH, AHR, HTT CES2 3588/4885CES1 4827/4885L3MBTL1 435/4885

“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.