SCHEMBL5132296

SCHEMBL5132296

CC(=O)SC(C)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BHMT Q93088 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 1/20 0.33
GABRR1 P24046 2/20 0.32

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
Hydrochloric Acid SCHEMBL11449331 0.98 TSHR (0.49) TSHRMEN1HPGDKMT2ASLC22A6
SCHEMBL27515423 0.78 TSHR (0.44) TSHRMEN1HPGDKMT2ATDP1
SCHEMBL6398798 0.78 TSHR (0.44) TSHRMEN1HPGDKMT2ATDP1
SCHEMBL7341604 0.78 TSHR (0.44) TSHRMEN1HPGDKMT2ATDP1
SCHEMBL29009323 0.76 GABRP (0.48) TSHRMEN1HPGDKMT2A
SCHEMBL2858121 0.76 SLC22A6 (0.43) TSHRSLC22A6TDP1ALDH1A1CACNA2D1
SCHEMBL4817481 0.76 SLC22A6 (0.43) TSHRSLC22A6TDP1ALDH1A1CACNA2D1
SCHEMBL4419642 0.75 NOS3 (0.46) TSHRSLC22A6TDP1CACNA2D1CACNB3
SCHEMBL8500057 0.75 TSHR (0.46) TSHRMEN1HPGDKMT2ATDP1
SCHEMBL8500054 0.75 TSHR (0.46) TSHRMEN1HPGDKMT2ATDP1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2620494-B1 SYNTHESIS OF POLYHYDROXYALKANOATES (PHA) WITH THIOESTER GROUPS IN THE SIDE CHAIN CONSEJO SUPERIOR DE INVESTIG CIENTÍFICAS (CSIC) (ES) 2017-02-22 EP claimed
US-20130274510-A1 SYNTHESIS OF POLYHYDROXYALKANOATES (PHA) WITH THIOESTER GROUPS IN THE SIDE CHAIN CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2013-10-17 US claimed
EP-2620494-A1 SYNTHESIS OF POLYHYDROXYALKANOATES (PHA) WITH THIOESTER GROUPS IN THE SIDE CHAIN Consejo Superior De Investigaciones Científicas (CSIC) (ES) 2013-07-31 EP claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
EP-2620494-B1 SYNTHESIS OF POLYHYDROXYALKANOATES (PHA) WITH THIOESTER GROUPS IN THE SIDE CHAIN CONSEJO SUPERIOR DE INVESTIG CIENTÍFICAS (CSIC) (ES) 2017-02-22 EP disclosed
US-20130274510-A1 SYNTHESIS OF POLYHYDROXYALKANOATES (PHA) WITH THIOESTER GROUPS IN THE SIDE CHAIN CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2013-10-17 US disclosed
EP-2620494-A1 SYNTHESIS OF POLYHYDROXYALKANOATES (PHA) WITH THIOESTER GROUPS IN THE SIDE CHAIN Consejo Superior De Investigaciones Científicas (CSIC) (ES) 2013-07-31 EP disclosed
US-20060264483-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-11-23 US disclosed
US-7045518-B2 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-05-16 US disclosed
US-20040267022-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. 2004-12-30 US disclosed
EP-1462443-A1 Sulfonylalkanoylamino hydroxyethylamino sulfamic acids useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2004-09-29 EP disclosed
WO-1994004493-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-03-03 WO disclosed
US-4352753-A 3-[[(2,3-Dihydro-1H-indol-2-yl)carbonyl]thio]propanoic (and acetic) acids as intermediates AMERICAN HOME PRODUCTS CORPORATION (US) 1982-10-05 US disclosed
US-4256761-A Antihypertensive amides USV PHARMACEUTICAL CORPORATION (US) 1981-03-17 US disclosed
US-4186268-A Mercaptoacylpyrrolidine phosphonic acids and related compounds E. R. SQUIBB & SONS, INC. (US) 1980-01-29 US disclosed
US-4154840-A Antihypertensive pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4141734-A SUBSTITUTED ORGANIC DI- OR TRISULFIDE ANTIDEPOSIT AGENTS CIBA-GEIBY AG (CH) 1979-02-27 US disclosed
US-4105776-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-08-08 US disclosed
US-4046889-A HYPOTENSIVE AGENTS, ENZYME INHIBITORS, ANGIOTENSIN CONVERSION E. R. SQUIBB & SONS, INC. (US) 1977-09-06 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 (3 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-20040267022-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, PRSS1, TMPRSS15 TSHR 4704/4885MEN1 4621/4885HPGD 1698/4885
US-20130274510-A1 SYNTHESIS OF POLYHYDROXYALKANOATES (PHA) WITH THIOESTER GROUPS IN THE SIDE CHAIN COASY, FADS1, ABHD5 TSHR 3334/4885MEN1 4404/4885HPGD 593/4885
US-20060264483-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 TSHR 4711/4885MEN1 4502/4885HPGD 2987/4885

“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.