SCHEMBL19732873

SCHEMBL19732873

CCCCC1CC(=O)c2ccccc2S1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 2/20 0.34
AKT1 P31749 2/20 0.34
MAPT P10636 2/20 0.34
GRM2 Q14416 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.34
PTGS1 P23219 1/20 0.34
RAB9A P51151 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL19732867 0.94 SIGMAR1 (0.41) SIGMAR1ALDH1A1GRM2LMNAMEN1
SCHEMBL10381879 0.84 SIGMAR1 (0.47) SIGMAR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL19732892 0.80 SIGMAR1 (0.36) SIGMAR1ALDH1A1HPGDKDM4E
SCHEMBL14861864 0.78 DRD3 (0.36) SIGMAR1ALDH1A1GRM2CYP1A2CYP2C19
SCHEMBL19751336 0.76 SIRT2 (0.45) GRM2SIRT2
SCHEMBL19732888 0.75 GRM2 (0.38) GRM2SIRT2
SCHEMBL8597647 0.75 SIGMAR1 (0.42) SIGMAR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL8598252 0.75 SIGMAR1 (0.42) SIGMAR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL8598254 0.75 SIGMAR1 (0.42) SIGMAR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL28625335 0.73 HSD17B10 (0.46) SIGMAR1ALDH1A1CYP3A4LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475260-B1 COMPOUNDS FOR USE AS AN ANTI-BACTERIAL OR ANTI-FUNGAL AGENT AND AS A ZINC SENSOR UNIV KONSTANZ (DE) 2022-03-30 EP disclosed
US-10961196-B2 Compounds for use as an anti-bacterial or anti-fungal agent and as a zinc sensor Universität Konstanz (DE) 2021-03-30 US disclosed
US-10961196-B2 Compounds for use as an anti-bacterial or anti-fungal agent and as a zinc sensor Universität Konstanz (DE) 2021-03-30 US disclosed
US-20190218183-A1 COMPOUNDS FOR USE AS AN ANTI-BACTERIAL OR ANTI-FUNGAL AGENT AND AS A ZINC SENSOR Universität Konstanz (DE) 2019-07-18 US disclosed
US-20190218183-A1 COMPOUNDS FOR USE AS AN ANTI-BACTERIAL OR ANTI-FUNGAL AGENT AND AS A ZINC SENSOR Universität Konstanz (DE) 2019-07-18 US disclosed
EP-3475260-A1 COMPOUNDS FOR USE AS AN ANTI-BACTERIAL OR ANTI-FUNGAL AGENT AND AS A ZINC SENSOR Universität Konstanz (DE) 2019-05-01 EP disclosed
WO-2017220205-A1 COMPOUNDS FOR USE AS AN ANTI-BACTERIAL OR ANTI-FUNGAL AGENT AND AS A ZINC SENSOR Universität Konstanz (DE) 2017-12-28 WO disclosed
EP-3260445-A1 COMPOUNDS FOR USE AS AN ANTI-BACTERIAL OR ANTI-FUNGAL AGENT AND AS A ZINC SENSOR Universität Konstanz (DE) 2017-12-27 EP disclosed
EP-3260445-A1 COMPOUNDS FOR USE AS AN ANTI-BACTERIAL OR ANTI-FUNGAL AGENT AND AS A ZINC SENSOR Universität Konstanz (DE) 2017-12-27 EP 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-20190218183-A1 COMPOUNDS FOR USE AS AN ANTI-BACTERIAL OR ANTI-FUNGAL AGENT AND AS A ZINC SENSOR ZFR, ZC3HAV1, ZFX SIGMAR1 3150/4885ALDH1A1 4356/4885HPGD 3132/4885
US-10961196-B2 Compounds for use as an anti-bacterial or anti-fungal agent and as a zinc sensor ZFR, ZC3HAV1, ZFX SIGMAR1 3150/4885ALDH1A1 4356/4885HPGD 3132/4885

“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.