SCHEMBL17817329

SCHEMBL17817329

CCCCCCCCCCCC[S+]([O-])CC[S+]([O-])CC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
THRB P10828 1/20 0.40
DNM1 Q05193 7/20 0.35
CES2 O00748 3/20 0.33
CES1 P23141 3/20 0.33
LSS P48449 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC22A1 O15245 1/20 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
SCHEMBL17817465 1.00 TSHR (0.40) TSHRTHRBDNM1CES2CES1
SCHEMBL7931995 0.95 TSHR (0.44) TSHRTHRBDNM1CES2CES1
SCHEMBL5424877 0.95 TSHR (0.44) TSHRTHRBDNM1CES2CES1
SCHEMBL902302 0.95 TSHR (0.44) TSHRTHRBDNM1CES2CES1
SCHEMBL6662074 0.95 TSHR (0.44) TSHRTHRBDNM1CES2CES1
SCHEMBL30846998 0.95 TSHR (0.44) TSHRTHRBDNM1CES2CES1
SCHEMBL25599070 0.95 TSHR (0.44) TSHRTHRBDNM1CES2CES1
SCHEMBL10866350 0.95 TSHR (0.44) TSHRTHRBDNM1CES2CES1
SCHEMBL11880617 0.95 TSHR (0.44) TSHRTHRBDNM1CES2CES1
SCHEMBL11192942 0.95 TSHR (0.44) TSHRTHRBDNM1CES2CES1

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
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 TSHR 2364/4885THRB 3055/4885DNM1 3773/4885

“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.